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In critical lattice models, distance ($r$) dependent correlation functions contain power laws $r^{-2\Delta}$ governed by scaling dimensions $\Delta$ of an underlying continuum field theory. In Monte Carlo simulations and other numerical approaches, the leading dimensions can be extracted by data fitting, which can be difficult when two or more powers contribute significantly. Here a method utilizing covariance between multiple lattice operators is developed where the $r$ dependent eigenvalues of the covariance matrix represent scaling dimensions of individual field operators. The scheme is tested on symmetric operators in the two-dimensional tricritical Blume-Capel model, where the two relevant dimensions, as well as some irrelevant ones, are isolated along with their corresponding eigenvectors. The method will be broadly useful in studies of classical and quantum models at multicritical points and for targeting irrelevant operators at simple critical (or multicritical) points., Comment: 5 pages, 3 figures

We resolve the nature of the quantum phase transition between a N\'eel antiferromagnet and a valence-bond solid in two-dimensional spin-1/2 magnets. We study a class of $J$-$Q$ models, in which Heisenberg exchange $J$ competes with interactions $Q_n$ formed by products of $n$ singlet projectors on adjacent parallel lattice links. QMC simulations provide unambiguous evidence for first-order transitions, with the discontinuities increasing with $n$. For $n=2$ and $n=3$ models, the first-order signatures are very weak. On intermediate length scales, we extract well-defined scaling dimensions (critical exponents) that are common to the models with small $n$, indicating proximity to a quantum critical point. By combining two $Q$ terms, the transition can be tuned from weak to more strongly first-order. The two coexisting orders on the first-order line scale with a large exponent $\beta \approx 0.85$. This exponent and others are close to bounds for an SO($5$) symmetric CFT with a relevant SO($5$) singlet. We characterize the emergent SO($5$) symmetry by the scaling dimensions of its leading irrelevant perturbations. The large $\beta$ value and a large correlation length exponent, $\nu \approx 1.4$, partially explain why the transition remains near-critical even quite far away from the critical point and in many different models without fine-tuning. In addition, we find that few-spin lattice operators are dominated by the SO($5$) violating field (the traceless symmetric tensor), and interactions involving many spins are required to observe strong effects of the relevant SO($5$) singlet. The exponent that had previously been identified with the divergent correlation length when crossing between the two phases does not have a corresponding CFT operator. We explain this emergent pseudocritical scale by a mechanism relying on a dangerously irrelevant SO($5$) perturbation., Comment: 57 pages, 36 figures

We study the Heisenberg $S=1/2$ chain with random ferro- and antiferromagnetic couplings, using quantum Monte Carlo simulations at ultra-low temperatures, converging to the ground state. Finite-size scaling of correlation functions and excitation gaps demonstrate an exotic critical state in qualitative agreement with previous strong-disorder renormalization group calculations, but with scaling exponents depending on the coupling distribution. We find dual scaling regimes of the transverse correlations versus the distance, with an $L$ independent form $C(r)=r^{-\mu}$ for $r \ll L$ and $C(r,L)=L^{-\eta}f(r/L)$ for $r/L > 0$, where $\mu > \eta$ and the scaling function is delivered by our analysis. These results are at variance with previous spin-wave and density-matrix renormalization group calculations, thus highlighting the power of unbiased quantum Monte Carlo simulations., Comment: 8 pages, 10 figures

We study the R\'enyi entanglement entropy (EE) of the two-dimensional $J$-$Q$ model, the emblematic quantum spin model of deconfined criticality at the phase transition between antiferromagnetic and valence-bond-solid ground states. State-of-the-art quantum Monte Carlo calculations of the EE reveal critical corner contributions that scale logarithmically with the system size, with a coefficient in remarkable agreement with the form expected from a large-$N$ conformal field theory with SO($N=5$) symmetry. However, details of the bipartition of the lattice are crucial in order to observe this behavior. If the subsystem for the reduced density matrix does not properly accommodate valence-bond fluctuations, logarithmic contributions appear even for corner-less bipartitions. We here use a $45^\circ$ tilted cut on the square lattice. Beyond supporting an SO($5$) deconfined quantum critical point, our results for both the regular and tilted cuts demonstrate important microscopic aspects of the EE that are not captured by conformal field theory., Comment: 5 pages, 3 figures + supplemental material

Using quantum Monte Carlo simulations and field-theory arguments, we study the fully frustrated (Villain) transverse-field Ising model on the square lattice. We consider a "primary" spin order parameter and a "secondary" dimer order parameter, which both lead to the same phase diagram but detect $Z_8$ and $Z_4$ symmetry, respectively. The spin order scales with conventional exponents, both in the finite temperature critical phase and at the $T = 0$ quantum critical point. The scaling of the dimer order requires more detailed investigations of the applicable low-energy theories; the height model at $T > 0$ and the $O(2)$ model in 2+1 dimensions at $T = 0$. Relating the order parameters to operators in these effective models, we predict the secondary critical exponents and confirm them numerically. The relationships between the primary and secondary order parameters have not been previously discussed in this context and provide insight more broadly for Ising models whose low-energy physics involves dimer degrees of freedom., Comment: 11 pages, 13 figures

We report multipronged progress on the stochastic averaging approach to numerical analytic continuation of quantum Monte Carlo data. With the sampled spectrum parametrized with delta-functions in continuous frequency space, a calculation of the configurational entropy lends support to a simple goodness-of-fit criterion for the optimal sampling temperature. To further investigate entropic effects, we compare spectra sampled in continuous frequency with results of amplitudes sampled on a fixed frequency grid. We demonstrate equivalences between sampling and optimizing spectral functions with the maximum-entropy approach with different forms of the entropy. These insights revise prevailing notions of the maximum-entropy method and its relationship to stochastic analytic continuation. We further explore various adjustable (optimized) constraints that allow sharp spectral features to be resolved, in particular at the lower frequency edge. The constraints, e.g., the location of the edge or the spectral weight of a quasi-particle peak, are optimized using a statistical criterion. We show that this method can correctly reproduce both narrow and broad quasi-particle peaks. We next introduce a parametrization for more intricate spectral functions with sharp edges, e.g., power-law singularities. Tests with synthetic data as well as with real simulation data for the spin-1/2 Heisenberg chain demonstrate that constrained sampling methods can reproduce spectral functions with sharp edge features at unprecedented fidelity. We present new results for S=1/2 Heisenberg 2-leg and 3-leg ladders to illustrate the ability of the methods to resolve spectral features arising from both elementary and composite excitations. Finally, we also propose how the methods developed here could be used as "pre processors" for analytic continuation by machine learning., Comment: 79 pages, 53 figures

We report multipronged progress on the stochastic averaging approach to numerical analytic continuation of quantum Monte Carlo data. With the sampled spectrum parametrized with delta-functions in continuous frequency space, a calculation of the configurational entropy lends support to a simple goodness-of-fit criterion for the optimal sampling temperature. To further investigate entropic effects, we compare spectra sampled in continuous frequency with results of amplitudes sampled on a fixed frequency grid. We demonstrate equivalences between sampling and optimizing spectral functions with the maximum-entropy approach with different forms of the entropy. These insights revise prevailing notions of the maximum-entropy method and its relationship to stochastic analytic continuation. We further explore various adjustable (optimized) constraints that allow sharp spectral features to be resolved, in particular at the lower frequency edge. The constraints, e.g., the location of the edge or the spectral weight of a quasi-particle peak, are optimized using a statistical criterion. We show that this method can correctly reproduce both narrow and broad quasi-particle peaks. We next introduce a parametrization for more intricate spectral functions with sharp edges, e.g., power-law singularities. Tests with synthetic data as well as with real simulation data for the spin-1/2 Heisenberg chain demonstrate that constrained sampling methods can reproduce spectral functions with sharp edge features at unprecedented fidelity. We present new results for S=1/2 Heisenberg 2-leg and 3-leg ladders to illustrate the ability of the methods to resolve spectral features arising from both elementary and composite excitations. Finally, we also propose how the methods developed here could be used as "pre processors" for analytic continuation by machine learning., Comment: 89 pages, 55 figures. v2: expanded discussion of quasi-particle peaks + other minor changes. v3: minor changes. Note: published version is open-access

We report multipronged progress on the stochastic averaging approach to numerical analytic continuation of quantum Monte Carlo data. With the sampled spectrum parametrized with delta-functions in continuous frequency space, a calculation of the configurational entropy lends support to a simple goodness-of-fit criterion for the optimal sampling temperature. To further investigate entropic effects, we compare spectra sampled in continuous frequency with results of amplitudes sampled on a fixed frequency grid. We demonstrate equivalences between sampling and optimizing spectral functions with the maximum-entropy approach with different forms of the entropy. These insights revise prevailing notions of the maximum-entropy method and its relationship to stochastic analytic continuation. We further explore various adjustable (optimized) constraints that allow sharp spectral features to be resolved, in particular at the lower frequency edge. The constraints, e.g., the location of the edge or the spectral weight of a quasi-particle peak, are optimized using a statistical criterion. We show that this method can correctly reproduce both narrow and broad quasi-particle peaks. We next introduce a parametrization for more intricate spectral functions with sharp edges, e.g., power-law singularities. Tests with synthetic data as well as with real simulation data for the spin-1/2 Heisenberg chain demonstrate that constrained sampling methods can reproduce spectral functions with sharp edge features at unprecedented fidelity. We present new results for S=1/2 Heisenberg 2-leg and 3-leg ladders to illustrate the ability of the methods to resolve spectral features arising from both elementary and composite excitations. Finally, we also propose how the methods developed here could be used as "pre processors" for analytic continuation by machine learning., Comment: 89 pages, 55 figures. v2: expanded discussion of quasi-particle peaks + other minor changes. v3: minor changes. Note: published version is open-access

We report a quantum Monte Carlo study of the phase transition between antiferromagnetic and valence-bond solid ground states in the square-lattice $S=1/2$ $J$-$Q$ model. The critical correlation function of the $Q$ terms gives a scaling dimension corresponding to the value $\nu = 0.455 \pm 0.002$ of the correlation-length exponent. This value agrees with previous (less precise) results from conventional methods, e.g., finite-size scaling of the near-critical order parameters. We also study the $Q$-derivatives of the Binder cumulants of the order parameters for $L^2$ lattices with $L$ up to $448$. The slope grows as $L^{1/\nu}$ with a value of $\nu$ consistent with the scaling dimension of the $Q$ term. There are no indications of runaway flow to a first-order phase transition. The mutually consistent estimates of $\nu$ provide compelling support for a continuous deconfined quantum-critical point., Comment: 6 pages, 4 figures. v2: minor changes only

We report a quantum Monte Carlo study of the phase transition between antiferromagnetic and valence-bond solid ground states in the square-lattice $S=1/2$ $J$-$Q$ model. The critical correlation function of the $Q$ terms gives a scaling dimension corresponding to the value $\nu = 0.455 \pm 0.002$ of the correlation-length exponent. This value agrees with previous (less precise) results from conventional methods, e.g., finite-size scaling of the near-critical order parameters. We also study the $Q$-derivatives of the Binder cumulants of the order parameters for $L^2$ lattices with $L$ up to $448$. The slope grows as $L^{1/\nu}$ with a value of $\nu$ consistent with the scaling dimension of the $Q$ term. There are no indications of runaway flow to a first-order phase transition. The mutually consistent estimates of $\nu$ provide compelling support for a continuous deconfined quantum-critical point., Comment: 6 pages, 4 figures. v2: minor changes only

We report a quantum Monte Carlo study of the phase transition between antiferromagnetic and valence-bond solid ground states in the square-lattice $S=1/2$ $J$-$Q$ model. The critical correlation function of the $Q$ terms gives a scaling dimension corresponding to the value $\nu = 0.455 \pm 0.002$ of the correlation-length exponent. This value agrees with previous (less precise) results from conventional methods, e.g., finite-size scaling of the near-critical order parameters. We also study the $Q$-derivatives of the Binder cumulants of the order parameters for $L^2$ lattices with $L$ up to $448$. The slope grows as $L^{1/\nu}$ with a value of $\nu$ consistent with the scaling dimension of the $Q$ term. There are no indications of runaway flow to a first-order phase transition. The mutually consistent estimates of $\nu$ provide compelling support for a continuous deconfined quantum-critical point., Comment: 6 pages, 4 figures. v2: minor changes only

We present a way to visualize and quantify renormalization group flows in a space of observables computed using Monte Carlo simulations. We apply the method to classical three-dimensional clock models, i.e., the planar (XY) spin model perturbed by a $Z_q$ symmetric anisotropy field. The method performs significantly better than standard techniques for determining the scaling dimension $y_q$ of the $Z_q$ field at the critical point if it is irrelevant ($q\ge4$). Furthermore, we analyze all stages of the complex renormalization flow, including the cross-over from the U(1) Nambu-Goldstone fixed point to the ultimate $Z_q$ symmetry-breaking fixed point due to the relevance of the $Z_q$ field inside the ordered phase. We expect our method to be particularly useful in the context of quantum-critical points with inherent dangerously irrelevant operators that cannot be tuned away microscopically but whose renormalization flows can be analyzed exactly as we do here for the clock models., Comment: 5 pages, 6 figures + 5 pages, 6 figures in supplemental material

We present a way to visualize and quantify renormalization group flows in a space of observables computed using Monte Carlo simulations. We apply the method to classical three-dimensional clock models, i.e., the planar (XY) spin model perturbed by a $Z_q$ symmetric anisotropy field. The method performs significantly better than standard techniques for determining the scaling dimension $y_q$ of the $Z_q$ field at the critical point if it is irrelevant ($q\ge4$). Furthermore, we analyze all stages of the complex renormalization flow, including the cross-over from the U(1) Nambu-Goldstone fixed point to the ultimate $Z_q$ symmetry-breaking fixed point due to the relevance of the $Z_q$ field inside the ordered phase. We expect our method to be particularly useful in the context of quantum-critical points with inherent dangerously irrelevant operators that cannot be tuned away microscopically but whose renormalization flows can be analyzed exactly as we do here for the clock models., Comment: 5 pages, 6 figures + 5 pages, 6 figures in supplemental material

We present a way to visualize and quantify renormalization group flows in a space of observables computed using Monte Carlo simulations. We apply the method to classical three-dimensional clock models, i.e., the planar (XY) spin model perturbed by a $Z_q$ symmetric anisotropy field. The method performs significantly better than standard techniques for determining the scaling dimension $y_q$ of the $Z_q$ field at the critical point if it is irrelevant ($q\ge4$). Furthermore, we analyze all stages of the complex renormalization flow, including the cross-over from the U(1) Nambu-Goldstone fixed point to the ultimate $Z_q$ symmetry-breaking fixed point due to the relevance of the $Z_q$ field inside the ordered phase. We expect our method to be particularly useful in the context of quantum-critical points with inherent dangerously irrelevant operators that cannot be tuned away microscopically but whose renormalization flows can be analyzed exactly as we do here for the clock models., Comment: 5 pages, 6 figures + 5 pages, 6 figures in supplemental material

We use numerical techniques to study dynamical properties at finite temperature ($T$) of the Heisenberg spin chain with random exchange couplings, which realizes the random singlet (RS) fixed point in the low-energy limit. Specifically, we study the dynamic spin structure factor $S(q,\omega)$, which can be probed directly by inelastic neutron scattering experiments and, in the limit of small $\omega$, in nuclear magnetic resonance (NMR) experiments through the spin-lattice relaxation rate $1/T_1$. Our work combines three complementary methods: exact diagonalization, matrix-product-state algorithms, and stochastic analytic continuation of quantum Monte Carlo results in imaginary time. Unlike the uniform system, whose low-energy excitations at low $T$ are restricted to $q$ close to $0$ and $\pi$, our study reveals a continuous narrow band of low-energy excitations in $S(q,\omega)$, extending throughout the Brillouin zone. Close to $q=\pi$, the scaling properties of these excitations are well captured by the RS theory, but we also see disagreements with some aspects of the predicted $q$-dependence further away from $q=\pi$. Furthermore we find spin diffusion effects close to $q=0$ that are not contained within the RS theory but give non-negligible contributions to the mean $1/T_1$. To compare with NMR experiments, we consider the distribution of the local $1/T_1$ values, which is broad, approximately described by a stretched exponential. The mean value first decreases with $T$, but starts to increase and diverge below a crossover temperature. Although a similar divergent behavior has been found for the static uniform susceptibility, this divergent behavior of $1/T_1$ has never been seen in experiments. Our results show that the divergence of the mean $1/T_1$ is due to rare events in the disordered chains and is concealed in experiments, where the typical $1/T_1$ value is accessed.

We use numerical techniques to study dynamical properties at finite temperature ($T$) of the Heisenberg spin chain with random exchange couplings, which realizes the random singlet (RS) fixed point in the low-energy limit. Specifically, we study the dynamic spin structure factor $S(q,\omega)$, which can be probed directly by inelastic neutron scattering experiments and, in the limit of small $\omega$, in nuclear magnetic resonance (NMR) experiments through the spin-lattice relaxation rate $1/T_1$. Our work combines three complementary methods: exact diagonalization, matrix-product-state algorithms, and stochastic analytic continuation of quantum Monte Carlo results in imaginary time. Unlike the uniform system, whose low-energy excitations at low $T$ are restricted to $q$ close to $0$ and $\pi$, our study reveals a continuous narrow band of low-energy excitations in $S(q,\omega)$, extending throughout the Brillouin zone. Close to $q=\pi$, the scaling properties of these excitations are well captured by the RS theory, but we also see disagreements with some aspects of the predicted $q$-dependence further away from $q=\pi$. Furthermore we find spin diffusion effects close to $q=0$ that are not contained within the RS theory but give non-negligible contributions to the mean $1/T_1$. To compare with NMR experiments, we consider the distribution of the local $1/T_1$ values, which is broad, approximately described by a stretched exponential. The mean value first decreases with $T$, but starts to increase and diverge below a crossover temperature. Although a similar divergent behavior has been found for the static uniform susceptibility, this divergent behavior of $1/T_1$ has never been seen in experiments. Our results show that the divergence of the mean $1/T_1$ is due to rare events in the disordered chains and is concealed in experiments, where the typical $1/T_1$ value is accessed.

Recently significant progress has been made in $(2+1)$-dimensional conformal field theories without supersymmetry. In particular, it was realized that different Lagrangians may be related by hidden dualities, i.e., seemingly different field theories may actually be identical in the infrared limit. Among all the proposed dualities, one has attracted particular interest in the field of strongly-correlated quantum-matter systems: the one relating the easy-plane noncompact CP$^1$ model (NCCP$^1$) and noncompact quantum electrodynamics (QED) with two flavors ($N = 2$) of massless two-component Dirac fermions. The easy-plane NCCP$^1$ model is the field theory of the putative deconfined quantum-critical point separating a planar (XY) antiferromagnet and a dimerized (valence-bond solid) ground state, while $N=2$ noncompact QED is the theory for the transition between a bosonic symmetry-protected topological phase and a trivial Mott insulator. In this work we present strong numerical support for the proposed duality. We realize the $N=2$ noncompact QED at a critical point of an interacting fermion model on the bilayer honeycomb lattice and study it using determinant quantum Monte Carlo (QMC) simulations. Using stochastic series expansion QMC, we study a planar version of the $S=1/2$ $J$-$Q$ spin Hamiltonian (a quantum XY-model with additional multi-spin couplings) and show that it hosts a continuous transition between the XY magnet and the valence-bond solid. The duality between the two systems, following from a mapping of their phase diagrams extending from their respective critical points, is supported by the good agreement between the critical exponents according to the proposed duality relationships., Comment: 14 pages, 9 figures

Recently significant progress has been made in $(2+1)$-dimensional conformal field theories without supersymmetry. In particular, it was realized that different Lagrangians may be related by hidden dualities, i.e., seemingly different field theories may actually be identical in the infrared limit. Among all the proposed dualities, one has attracted particular interest in the field of strongly-correlated quantum-matter systems: the one relating the easy-plane noncompact CP$^1$ model (NCCP$^1$) and noncompact quantum electrodynamics (QED) with two flavors ($N = 2$) of massless two-component Dirac fermions. The easy-plane NCCP$^1$ model is the field theory of the putative deconfined quantum-critical point separating a planar (XY) antiferromagnet and a dimerized (valence-bond solid) ground state, while $N=2$ noncompact QED is the theory for the transition between a bosonic symmetry-protected topological phase and a trivial Mott insulator. In this work we present strong numerical support for the proposed duality. We realize the $N=2$ noncompact QED at a critical point of an interacting fermion model on the bilayer honeycomb lattice and study it using determinant quantum Monte Carlo (QMC) simulations. Using stochastic series expansion QMC, we study a planar version of the $S=1/2$ $J$-$Q$ spin Hamiltonian (a quantum XY-model with additional multi-spin couplings) and show that it hosts a continuous transition between the XY magnet and the valence-bond solid. The duality between the two systems, following from a mapping of their phase diagrams extending from their respective critical points, is supported by the good agreement between the critical exponents according to the proposed duality relationships., Comment: 14 pages, 9 figures

Recently significant progress has been made in $(2+1)$-dimensional conformal field theories without supersymmetry. In particular, it was realized that different Lagrangians may be related by hidden dualities, i.e., seemingly different field theories may actually be identical in the infrared limit. Among all the proposed dualities, one has attracted particular interest in the field of strongly-correlated quantum-matter systems: the one relating the easy-plane noncompact CP$^1$ model (NCCP$^1$) and noncompact quantum electrodynamics (QED) with two flavors ($N = 2$) of massless two-component Dirac fermions. The easy-plane NCCP$^1$ model is the field theory of the putative deconfined quantum-critical point separating a planar (XY) antiferromagnet and a dimerized (valence-bond solid) ground state, while $N=2$ noncompact QED is the theory for the transition between a bosonic symmetry-protected topological phase and a trivial Mott insulator. In this work we present strong numerical support for the proposed duality. We realize the $N=2$ noncompact QED at a critical point of an interacting fermion model on the bilayer honeycomb lattice and study it using determinant quantum Monte Carlo (QMC) simulations. Using stochastic series expansion QMC, we study a planar version of the $S=1/2$ $J$-$Q$ spin Hamiltonian (a quantum XY-model with additional multi-spin couplings) and show that it hosts a continuous transition between the XY magnet and the valence-bond solid. The duality between the two systems, following from a mapping of their phase diagrams extending from their respective critical points, is supported by the good agreement between the critical exponents according to the proposed duality relationships., Comment: 14 pages, 9 figures

In a spontaneously dimerized quantum antiferromagnet, spin-1/2 excitations (spinons) are confined in pairs by strings akin to those confining quarks in non-abelian gauge theories. The system has multiple degenerate ground states (vacua) and domain walls between regions of different vacua. For two vacua, we demonstrate that spinons on a domain wall are liberated, in a mechanism strikingly similar to domain-wall deconfinement of quarks in variants of quantum chromodynamics. This observation not only establishes a novel phenomenon in quantum magnetism, but also provides a new direct link between particle physics and condensed-matter physics. The analogy opens doors to improving our understanding of particle confinement and deconfinement by computational and experimental studies in quantum magnetism., Comment: Title changed, and overall condensation of the text. 5 pages, 4 figures

In a spontaneously dimerized quantum antiferromagnet, spin-1/2 excitations (spinons) are confined in pairs by strings akin to those confining quarks in non-abelian gauge theories. The system has multiple degenerate ground states (vacua) and domain walls between regions of different vacua. For two vacua, we demonstrate that spinons on a domain wall are liberated, in a mechanism strikingly similar to domain-wall deconfinement of quarks in variants of quantum chromodynamics. This observation not only establishes a novel phenomenon in quantum magnetism, but also provides a new direct link between particle physics and condensed-matter physics. The analogy opens doors to improving our understanding of particle confinement and deconfinement by computational and experimental studies in quantum magnetism., Comment: Title changed, and overall condensation of the text. 5 pages, 4 figures

In a spontaneously dimerized quantum antiferromagnet, spin-1/2 excitations (spinons) are confined in pairs by strings akin to those confining quarks in non-abelian gauge theories. The system has multiple degenerate ground states (vacua) and domain walls between regions of different vacua. For two vacua, we demonstrate that spinons on a domain wall are liberated, in a mechanism strikingly similar to domain-wall deconfinement of quarks in variants of quantum chromodynamics. This observation not only establishes a novel phenomenon in quantum magnetism, but also provides a new direct link between particle physics and condensed-matter physics. The analogy opens doors to improving our understanding of particle confinement and deconfinement by computational and experimental studies in quantum magnetism., Comment: Title changed, and overall condensation of the text. 5 pages, 4 figures

In a spontaneously dimerized quantum antiferromagnet, spin-1/2 excitations (spinons) are confined in pairs by strings akin to those confining quarks in non-abelian gauge theories. The system has multiple degenerate ground states (vacua) and domain walls between regions of different vacua. For two vacua, we demonstrate that spinons on a domain wall are liberated, in a mechanism strikingly similar to domain-wall deconfinement of quarks in variants of quantum chromodynamics. This observation not only establishes a novel phenomenon in quantum magnetism, but also provides a new direct link between particle physics and condensed-matter physics. The analogy opens doors to improving our understanding of particle confinement and deconfinement by computational and experimental studies in quantum magnetism., Comment: Title changed, and overall condensation of the text. 5 pages, 4 figures

A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of delta-functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S=1/2 Heisenberg chain is computed. Very good agreement is found with Bethe Ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures., Comment: 5 pages, 4 figures

A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of delta-functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S=1/2 Heisenberg chain is computed. Very good agreement is found with Bethe Ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures., Comment: 5 pages, 4 figures

A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of delta-functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S=1/2 Heisenberg chain is computed. Very good agreement is found with Bethe Ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures., Comment: 5 pages, 4 figures

We use Monte Carlo methods to study spinons in two-dimensional quantum spin systems, characterizing their intrinsic size $\lambda$ and confinement length $\Lambda$. We confirm that spinons are deconfined, $\Lambda \to \infty$ and $\lambda$ finite, in a resonating valence-bond spin-liquid state. In a valence-bond solid, we find finite $\lambda$ and $\Lambda$, with $\lambda$ of a single spinon significantly larger than the bound-state---the spinon is soft and shrinks as the bound state is formed. Both $\lambda$ and $\Lambda$ diverge upon approaching the critical point separating valence-bond solid and N\'eel ground states. We conclude that the spinon deconfinement is marginal in the lowest-energy state in the spin-1 sector, due to weak attractive spinon interactions. Deconfinement in the vicinity of the critical point should occur at higher energies., Comment: 5 pages, 5 figures

We use Monte Carlo methods to study spinons in two-dimensional quantum spin systems, characterizing their intrinsic size $\lambda$ and confinement length $\Lambda$. We confirm that spinons are deconfined, $\Lambda \to \infty$ and $\lambda$ finite, in a resonating valence-bond spin-liquid state. In a valence-bond solid, we find finite $\lambda$ and $\Lambda$, with $\lambda$ of a single spinon significantly larger than the bound-state---the spinon is soft and shrinks as the bound state is formed. Both $\lambda$ and $\Lambda$ diverge upon approaching the critical point separating valence-bond solid and N\'eel ground states. We conclude that the spinon deconfinement is marginal in the lowest-energy state in the spin-1 sector, due to weak attractive spinon interactions. Deconfinement in the vicinity of the critical point should occur at higher energies., Comment: 5 pages, 5 figures

We use Monte Carlo methods to study spinons in two-dimensional quantum spin systems, characterizing their intrinsic size $\lambda$ and confinement length $\Lambda$. We confirm that spinons are deconfined, $\Lambda \to \infty$ and $\lambda$ finite, in a resonating valence-bond spin-liquid state. In a valence-bond solid, we find finite $\lambda$ and $\Lambda$, with $\lambda$ of a single spinon significantly larger than the bound-state---the spinon is soft and shrinks as the bound state is formed. Both $\lambda$ and $\Lambda$ diverge upon approaching the critical point separating valence-bond solid and N\'eel ground states. We conclude that the spinon deconfinement is marginal in the lowest-energy state in the spin-1 sector, due to weak attractive spinon interactions. Deconfinement in the vicinity of the critical point should occur at higher energies., Comment: 5 pages, 5 figures

We discuss designer Hamiltonians---lattice models tailored to be free from sign problems ("de-signed") when simulated with quantum Monte Carlo methods but which still host complex many-body states and quantum phase transitions of interest in condensed matter physics. We focus on quantum spin systems in which competing interactions lead to non-magnetic ground states. These states and the associated quantum phase transitions can be studied in great detail, enabling direct access to universal properties and connections with low-energy effective quantum field theories. As specific examples, we discuss the transition from a Neel antiferromagnet to either a uniform quantum paramagnet or a spontaneously symmetry-broken valence-bond solid in SU(2) and SU(N) invariant spin models. We also discuss anisotropic (XXZ) systems harboring topological Z2 spin liquids and the XY* transition. We briefly review recent progress on quantum Monte Carlo algorithms, including ground state projection in the valence-bond basis and direct computation of the Renyi variants of the entanglement entropy., Comment: 23 pages, 10 figures

We discuss designer Hamiltonians---lattice models tailored to be free from sign problems ("de-signed") when simulated with quantum Monte Carlo methods but which still host complex many-body states and quantum phase transitions of interest in condensed matter physics. We focus on quantum spin systems in which competing interactions lead to non-magnetic ground states. These states and the associated quantum phase transitions can be studied in great detail, enabling direct access to universal properties and connections with low-energy effective quantum field theories. As specific examples, we discuss the transition from a Neel antiferromagnet to either a uniform quantum paramagnet or a spontaneously symmetry-broken valence-bond solid in SU(2) and SU(N) invariant spin models. We also discuss anisotropic (XXZ) systems harboring topological Z2 spin liquids and the XY* transition. We briefly review recent progress on quantum Monte Carlo algorithms, including ground state projection in the valence-bond basis and direct computation of the Renyi variants of the entanglement entropy., Comment: 23 pages, 10 figures

We discuss designer Hamiltonians---lattice models tailored to be free from sign problems ("de-signed") when simulated with quantum Monte Carlo methods but which still host complex many-body states and quantum phase transitions of interest in condensed matter physics. We focus on quantum spin systems in which competing interactions lead to non-magnetic ground states. These states and the associated quantum phase transitions can be studied in great detail, enabling direct access to universal properties and connections with low-energy effective quantum field theories. As specific examples, we discuss the transition from a Neel antiferromagnet to either a uniform quantum paramagnet or a spontaneously symmetry-broken valence-bond solid in SU(2) and SU(N) invariant spin models. We also discuss anisotropic (XXZ) systems harboring topological Z2 spin liquids and the XY* transition. We briefly review recent progress on quantum Monte Carlo algorithms, including ground state projection in the valence-bond basis and direct computation of the Renyi variants of the entanglement entropy., Comment: 23 pages, 10 figures

These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of Monte Carlo studies of classical spin systems, to illustrate finite-size scaling at continuous and first-order phase transitions. Exact diagonalization and quantum Monte Carlo (stochastic series expansion) algorithms and their computer implementations are then discussed in detail. Applications of the methods are illustrated by results for some of the most essential models in quantum magnetism, such as the S=1/2 Heisenberg antiferromagnet in one and two dimensions, as well as extended models useful for studying quantum phase transitions between antiferromagnetic and magnetically disordered states., Comment: 207 pages, 91 figures. Lecture notes for course given at the 14th Training Course in Physics of Strongly Correlated Systems, Salerno (Vietri sul Mare), Italy, in October 2009

These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of Monte Carlo studies of classical spin systems, to illustrate finite-size scaling at continuous and first-order phase transitions. Exact diagonalization and quantum Monte Carlo (stochastic series expansion) algorithms and their computer implementations are then discussed in detail. Applications of the methods are illustrated by results for some of the most essential models in quantum magnetism, such as the S=1/2 Heisenberg antiferromagnet in one and two dimensions, as well as extended models useful for studying quantum phase transitions between antiferromagnetic and magnetically disordered states., Comment: 207 pages, 91 figures. Lecture notes for course given at the 14th Training Course in Physics of Strongly Correlated Systems, Salerno (Vietri sul Mare), Italy, in October 2009

We use quantum Monte Carlo simulations to study effects of disorder on the quantum phase transition occurring versus the ratio g = J/J' in square-lattice dimerized S = 1/2 Heisenberg antiferromagnets with intradimer and interdimer couplings J and J'. The dimers are either randomly distributed (as in the classical dimer model), or come in parallel pairs with horizontal or vertical orientation. In both cases the transition violates the Harris criterion, according to which the correlation-length exponent should satisfy v >= 1. We do not detect any deviations from the three-dimensional O(3) universality class obtaining in the absence of disorder (where v approximate to 0.71). We discuss special circumstances which allow v < 1 for the type of disorder considered here., QC 20220301

The antiferromagnetic to valence-bond-solid phase transition in the two-dimensional J-Q model (an S=1/2 Heisenberg model with four-spin interactions) is studied using large-scale quantum Monte Carlo simulations. The results support a continuous transition of the ground state, in agreement with the theory of "deconfined" quantum criticality. There are, however, large corrections to scaling, of logarithmic or very slowly decaying power-law form, which had not been anticipated. This suggests that either the SU($N$) symmetric noncompact CP^(N-1) field theory for deconfined quantum criticality has to be revised, or that the theory for N=2 (as in the system studied here) differs significantly from N -> infinity (where the field theory is analytically tractable)., Comment: 4 pages, 5 figures, final published version

The antiferromagnetic to valence-bond-solid phase transition in the two-dimensional J-Q model (an S=1/2 Heisenberg model with four-spin interactions) is studied using large-scale quantum Monte Carlo simulations. The results support a continuous transition of the ground state, in agreement with the theory of "deconfined" quantum criticality. There are, however, large corrections to scaling, of logarithmic or very slowly decaying power-law form, which had not been anticipated. This suggests that either the SU($N$) symmetric noncompact CP^(N-1) field theory for deconfined quantum criticality has to be revised, or that the theory for N=2 (as in the system studied here) differs significantly from N -> infinity (where the field theory is analytically tractable)., Comment: 4 pages, 5 figures, final published version

We consider the quantum phase transition between a Neel antiferromagnet and a valence-bond solid (VBS) in a two-dimensional system of S=1/2 spins. Assuming that the excitations of the critical ground state are linearly dispersing deconfined spinons obeying Bose statistics, we derive expressions for the specific heat and the magnetic susceptibility at low temperature T. Comparing with quantum Monte Carlo results for the J-Q model, which is a candidate for a deconfined Neel-VBS transition, we find excellent agreement, including a previously noted logarithmic correction in the susceptibility. In our treatment, this is a direct consequence of a confinement length scale Lambda which is proportional to the correlation length xi raised to a non-trivial power; Lambda ~ xi^(1+a) ~1/T^(1+a), with a>0 (with a approximately 0.2 in the model)., Comment: 4+ pages, 3 figures. v2: cosmetic changes only

The antiferromagnetic to valence-bond-solid phase transition in the two-dimensional J-Q model (an S=1/2 Heisenberg model with four-spin interactions) is studied using large-scale quantum Monte Carlo simulations. The results support a continuous transition of the ground state, in agreement with the theory of "deconfined" quantum criticality. There are, however, large corrections to scaling, of logarithmic or very slowly decaying power-law form, which had not been anticipated. This suggests that either the SU($N$) symmetric noncompact CP^(N-1) field theory for deconfined quantum criticality has to be revised, or that the theory for N=2 (as in the system studied here) differs significantly from N -> infinity (where the field theory is analytically tractable)., Comment: 4 pages, 5 figures, final published version

We consider the quantum phase transition between a Neel antiferromagnet and a valence-bond solid (VBS) in a two-dimensional system of S=1/2 spins. Assuming that the excitations of the critical ground state are linearly dispersing deconfined spinons obeying Bose statistics, we derive expressions for the specific heat and the magnetic susceptibility at low temperature T. Comparing with quantum Monte Carlo results for the J-Q model, which is a candidate for a deconfined Neel-VBS transition, we find excellent agreement, including a previously noted logarithmic correction in the susceptibility. In our treatment, this is a direct consequence of a confinement length scale Lambda which is proportional to the correlation length xi raised to a non-trivial power; Lambda ~ xi^(1+a) ~1/T^(1+a), with a>0 (with a approximately 0.2 in the model)., Comment: 4+ pages, 3 figures. v2: cosmetic changes only

The directed-loop scheme is a framework for generalized loop-type updates in quantum Monte Carlo, applicable both to world-line and stochastic series expansion methods. Here, the directed-loop equations, the solution of which gives the probabilities of the various loop-building steps, are discussed in the context of the anisotropic $S=1/2$ Heisenberg model in a uniform magnetic field. This example shows how the directed-loop concept emerges as a natural generalization of the conventional loop algorithm, where the loops are selfavoiding, to cases where selfintersection must be allowed in order to satisfy detailed balance., Comment: 10 pages, for the proceedings of "The Monte Carlo Method in the Physical Sciences: Celebrating the 50th Anniversary of the Metropolis Algorithm", Los Alamos, June 9-11, 2003

The directed-loop scheme is a framework for generalized loop-type updates in quantum Monte Carlo, applicable both to world-line and stochastic series expansion methods. Here, the directed-loop equations, the solution of which gives the probabilities of the various loop-building steps, are discussed in the context of the anisotropic $S=1/2$ Heisenberg model in a uniform magnetic field. This example shows how the directed-loop concept emerges as a natural generalization of the conventional loop algorithm, where the loops are selfavoiding, to cases where selfintersection must be allowed in order to satisfy detailed balance., Comment: 10 pages, for the proceedings of "The Monte Carlo Method in the Physical Sciences: Celebrating the 50th Anniversary of the Metropolis Algorithm", Los Alamos, June 9-11, 2003

The directed-loop scheme is a framework for generalized loop-type updates in quantum Monte Carlo, applicable both to world-line and stochastic series expansion methods. Here, the directed-loop equations, the solution of which gives the probabilities of the various loop-building steps, are discussed in the context of the anisotropic $S=1/2$ Heisenberg model in a uniform magnetic field. This example shows how the directed-loop concept emerges as a natural generalization of the conventional loop algorithm, where the loops are selfavoiding, to cases where selfintersection must be allowed in order to satisfy detailed balance., Comment: 10 pages, for the proceedings of "The Monte Carlo Method in the Physical Sciences: Celebrating the 50th Anniversary of the Metropolis Algorithm", Los Alamos, June 9-11, 2003

We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and antiferromagnetic couplings $J_{xy}(r)=-J_z(r)$ in the $xy$-plane, for arbitrary distances $r$) the sign problem present for algorithms operating in the $z$-basis can be solved within a recent ``operator-loop'' formulation of the stochastic series expansion method (a cluster algorithm for sampling the diagonal matrix elements of the power series expansion of ${\rm exp}(-\beta H)$ to all orders). The solution relies on identification of operator-loops which change the configuration sign when updated (``merons'') and is similar to the meron-cluster algorithm recently proposed by Chandrasekharan and Wiese for solving the sign problem for a class of fermion models (Phys. Rev. Lett. {\bf 83}, 3116 (1999)). Some important expectation values, e.g., the internal energy, can be evaluated in the subspace with no merons, where the weight function is positive definite. Calculations of other expectation values require sampling of configurations with only a small number of merons (typically zero or two), with an accompanying sign problem which is not serious. We also discuss problems which arise in applying the meron concept to more general quantum spin models with frustrated interactions., Comment: 13 pages, 16 figures

We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and antiferromagnetic couplings $J_{xy}(r)=-J_z(r)$ in the $xy$-plane, for arbitrary distances $r$) the sign problem present for algorithms operating in the $z$-basis can be solved within a recent ``operator-loop'' formulation of the stochastic series expansion method (a cluster algorithm for sampling the diagonal matrix elements of the power series expansion of ${\rm exp}(-\beta H)$ to all orders). The solution relies on identification of operator-loops which change the configuration sign when updated (``merons'') and is similar to the meron-cluster algorithm recently proposed by Chandrasekharan and Wiese for solving the sign problem for a class of fermion models (Phys. Rev. Lett. {\bf 83}, 3116 (1999)). Some important expectation values, e.g., the internal energy, can be evaluated in the subspace with no merons, where the weight function is positive definite. Calculations of other expectation values require sampling of configurations with only a small number of merons (typically zero or two), with an accompanying sign problem which is not serious. We also discuss problems which arise in applying the meron concept to more general quantum spin models with frustrated interactions., Comment: 13 pages, 16 figures

We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and antiferromagnetic couplings $J_{xy}(r)=-J_z(r)$ in the $xy$-plane, for arbitrary distances $r$) the sign problem present for algorithms operating in the $z$-basis can be solved within a recent ``operator-loop'' formulation of the stochastic series expansion method (a cluster algorithm for sampling the diagonal matrix elements of the power series expansion of ${\rm exp}(-\beta H)$ to all orders). The solution relies on identification of operator-loops which change the configuration sign when updated (``merons'') and is similar to the meron-cluster algorithm recently proposed by Chandrasekharan and Wiese for solving the sign problem for a class of fermion models (Phys. Rev. Lett. {\bf 83}, 3116 (1999)). Some important expectation values, e.g., the internal energy, can be evaluated in the subspace with no merons, where the weight function is positive definite. Calculations of other expectation values require sampling of configurations with only a small number of merons (typically zero or two), with an accompanying sign problem which is not serious. We also discuss problems which arise in applying the meron concept to more general quantum spin models with frustrated interactions., Comment: 13 pages, 16 figures

A cluster update (the ``operator-loop'') is developed within the framework of a numerically exact quantum Monte Carlo method based on the power series expansion of exp(-BH) (stochastic series expansion). The method is generally applicable to a wide class of lattice Hamiltonians for which the expansion is positive definite. For some important models the operator-loop algorithm is more efficient than loop updates previously developed for ``worldline'' simulations. The method is here tested on a two-dimensional anisotropic Heisenberg antiferromagnet in a magnetic field., Comment: 5 pages, 4 figures

A cluster update (the ``operator-loop'') is developed within the framework of a numerically exact quantum Monte Carlo method based on the power series expansion of exp(-BH) (stochastic series expansion). The method is generally applicable to a wide class of lattice Hamiltonians for which the expansion is positive definite. For some important models the operator-loop algorithm is more efficient than loop updates previously developed for ``worldline'' simulations. The method is here tested on a two-dimensional anisotropic Heisenberg antiferromagnet in a magnetic field., Comment: 5 pages, 4 figures

A cluster update (the ``operator-loop'') is developed within the framework of a numerically exact quantum Monte Carlo method based on the power series expansion of exp(-BH) (stochastic series expansion). The method is generally applicable to a wide class of lattice Hamiltonians for which the expansion is positive definite. For some important models the operator-loop algorithm is more efficient than loop updates previously developed for ``worldline'' simulations. The method is here tested on a two-dimensional anisotropic Heisenberg antiferromagnet in a magnetic field., Comment: 5 pages, 4 figures