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Eigenvector continuation is a computational method that finds the extremal eigenvalues and eigenvectors of a Hamiltonian matrix with one or more control parameters. It does this by projection onto a subspace of eigenvectors corresponding to selected training values of the control parameters. The method has proven to be very efficient and accurate for interpolating and extrapolating eigenvectors. However, almost nothing is known about how the method converges, and its rapid convergence properties have remained mysterious. In this letter we present the first study of the convergence of eigenvector continuation. In order to perform the mathematical analysis, we introduce a new variant of eigenvector continuation that we call vector continuation. We first prove that eigenvector continuation and vector continuation have identical convergence properties and then analyze the convergence of vector continuation. Our analysis shows that, in general, eigenvector continuation converges more rapidly than perturbation theory. The faster convergence is achieved by eliminating a phenomenon that we call differential folding, the interference between non-orthogonal vectors appearing at different orders in perturbation theory. From our analysis we can predict how eigenvector continuation converges both inside and outside the radius of convergence of perturbation theory. While eigenvector continuation is a non-perturbative method, we show that its rate of convergence can be deduced from power series expansions of the eigenvectors. Our results also yield new insights into the nature of divergences in perturbation theory., Comment: 5 pages and 4 figures (main text), 4 pages and 8 figures (supplemental), new analysis of the multi-parameter case, new application to BCS-BEC crossover and the unitary limit

A common challenge faced in quantum physics is finding the extremal eigenvalues and eigenvectors of a Hamiltonian matrix in a vector space so large that linear algebra operations on general vectors are not possible. There are numerous efficient methods developed for this task, but they generally fail when some control parameter in the Hamiltonian matrix exceeds some threshold value. In this work we present a new technique called eigenvector continuation that can extend the reach of these methods. The key insight is that while an eigenvector resides in a linear space with enormous dimensions, the eigenvector trajectory generated by smooth changes of the Hamiltonian matrix is well approximated by a very low-dimensional manifold. We prove this statement using analytic function theory and propose an algorithm to solve for the extremal eigenvectors. We benchmark the method using several examples from quantum many-body theory., Version to appear in Physical Review Letters, 4 + 6 pages (main + supplemental materials), 1 + 6 figures (main + supplemental materials)

Recent ab initio lattice studies have found that the interactions between alpha particles (4He nuclei) are sensitive to seemingly minor details of the nucleon-nucleon force such as interaction locality. In order to uncover the essential physics of this puzzling phenomenon without unnecessary complications, we study a simple model involving two-component fermions in one spatial dimension. We probe the interaction between two bound dimers for several different particle-particle interactions and measure an effective potential between the dimers using external point potentials which act as numerical tweezers. We find that the strength and range of the local part of the particle-particle interactions play a dominant role in shaping the interactions between the dimers and can even determine the overall sign of the effective potential., Final version to be published in Physical Review Letters. Main text: 5 pages, 5 figures. Supplemental material: 2 pages, 2 figures

How do protons and neutrons bind to form nuclei? This is the central question of ab initio nuclear structure theory. While the answer may seem as simple as the fact that nuclear forces are attractive, the full story is more complex and interesting. In this work we present numerical evidence from ab initio lattice simulations showing that nature is near a quantum phase transition, a zero-temperature transition driven by quantum fluctuations. Using lattice effective field theory, we perform Monte Carlo simulations for systems with up to twenty nucleons. For even and equal numbers of protons and neutrons, we discover a first-order transition at zero temperature from a Bose-condensed gas of alpha particles (4He nuclei) to a nuclear liquid. Whether one has an alpha-particle gas or nuclear liquid is determined by the strength of the alpha-alpha interactions, and we show that the alpha-alpha interactions depend on the strength and locality of the nucleon-nucleon interactions. This insight should be useful in improving calculations of nuclear structure and important astrophysical reactions involving alpha capture on nuclei. Our findings also provide a tool to probe the structure of alpha cluster states such as the Hoyle state responsible for the production of carbon in red giant stars and point to a connection between nuclear states and the universal physics of bosons at large scattering length., Published version to appear in Physical Review Letters. Main: 5 pages, 3 figures. Supplemental material: 13 pages, 6 figures

Tetrahedral structure of alpha particles in 16O is confirmed by first principle lattice calculations.

We present ab initio lattice calculations of the low-energy even-parity states of 16O using chiral nuclear effective field theory. We find good agreement with the empirical energy spectrum, and with the electromagnetic properties and transition rates. For the ground state, we find that the nucleons are arranged in a tetrahedral configuration of alpha clusters. For the first excited spin-0 state, we find that the predominant structure is a square configuration of alpha clusters, with rotational excitations that include the first spin-2 state.

We derive general results for the mass shift of bound states with angular momentum l >= 1 in a finite periodic volume. Our results have direct applications to lattice simulations of hadronic molecules as well as atomic nuclei. While the binding of S-wave bound states increases at finite volume, we show that the binding of P-wave bound states decreases. The mass shift for D-wave bound states as well as higher partial waves depends on the representation of the cubic rotation group. Nevertheless, the multiplet-averaged mass shift for any angular momentum l can be expressed in a simple form, and the sign of the shift alternates for even and odd l. We verify our analytical results with explicit numerical calculations. We also show numerically that similar volume corrections appear in three-body bound states., 4 pages, 3 figures, final version

The Hoyle state plays a crucial role in the hydrogen burning of stars heavier than our sun and in the production of carbon and other elements necessary for life. This excited state of the carbon-12 nucleus was postulated by Hoyle [1] as a necessary ingredient for the fusion of three alpha particles to produce carbon at stellar temperatures. Although the Hoyle state was seen experimentally more than a half century ago [2,3], nuclear theorists have not yet uncovered the nature of this state from first principles. In this letter we report the first ab initio calculation of the low-lying states of carbon-12 using supercomputer lattice simulations and a theoretical framework known as effective field theory. In addition to the ground state and excited spin-2 state, we find a resonance at -85(3) MeV with all of the properties of the Hoyle state and in agreement with the experimentally observed energy. These lattice simulations provide insight into the structure of this unique state and new clues as to the amount of fine-tuning needed in nature for the production of carbon in stars., Comment: 4 pp, 3 eps figs, version accepted for publication in Physical Review Letters

While first order perturbation theory is routinely used in quantum Monte Carlo (QMC) calculations, higher-order terms present significant numerical challenges. We present a new approach for computing perturbative corrections in projection QMC calculations. We demonstrate the method by computing nuclear ground state energies up to second order for a realistic chiral interaction. We calculate the binding energies of several light nuclei up to $^{16}$O by expanding the Hamiltonian around the Wigner SU(4) limit and find good agreement with data. In contrast to the natural ordering of the perturbative series, we find remarkably large second order energy corrections. This occurs because the perturbing interactions break the symmetries of the unperturbed Hamiltonian. Our method is free from the sign problem and can be applied to QMC calculations for many-body systems in nuclear physics, condensed matter physics, ultracold atoms, and quantum chemistry., 5 pages main text, 6 pages supplemental material, more details on the perturbative expansion, version accepted for publication in Phys. Rev. Lett