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The generator coordinate method (GCM) was introduced in nuclear physics by Wheeler and his collaborators in 1950's and it is still one of the mostly used approximations for treating nuclear large amplitude collective motion (LACM). GCM was inspired by similar methods introduced in molecular and condensed matter physics in the late 1920's, after the Schr\"odinger equation became the tool of choice to describe quantum phenomena. The interest in the 1983 extension of GCM suggested by Reinhard, Cusson and Goeke, which includes internal excitations, was revived in recent years, but unfortunately this new time-dependent GCM (TDGCM) framework has a serious flaw, which prevents it from describing correctly many anticipated features in a properly formulated TDGCM framework, such as interference and entanglement. I present here an alternative formulation, the enhanced GCM (eGCM), which is free of difficulties encountered in previous TDGCM implementations and relevant for fission and many-nucleon transfer in heavy-ion reactions., Comment: new main text and supplement, new figures, extended number of references

The presence of pairing correlations within the time-dependent density functional theory (TDDFT) extension to superfluid systems, is tantamount to the presence of a quantum collision integral in the evolution equations, which leads to an obviously non-Markovian behavior of the single-particle occupation probabilities, unexpected in a traditional quantum extension of kinetic equations. The quantum generalization of the Boltzmann equation, based on a collision integral in terms of phase-space occupation probabilities, is the most used approach to describe nuclear dynamics and which by construction has a Markovian character. By contrast, the extension of TDDFT to superfluid systems has similarities with the Baym and Kadanoff kinetic formalism, which however is formulated with much more complicated evolution equations with long-time memory terms and non-local interactions. The irreversibility of quantum dynamics is properly characterized using the canonical wave functions/natural orbitals, and the associated canonical occupation probabilities, which provide the smallest possible representation of any fermionic many-body wave function. In this basis, one can evaluate the orbital entanglement entropy, which is an excellent measure of the non-equilibrium dynamics of an isolated system. To explore the phenomena of memory effects and irreversibility, we investigate the use of canonical wave functions/natural orbitals in nuclear many-body calculations, assessing their utility for static calculations, dynamics, and symmetry restoration. As the number of single-particle states is generally quite large, it is highly desirable to work in the canonical basis whenever possible, preferably with a cutoff. We show that truncating the number of canonical wave functions can be a valid approach in the case of static calculations, but that such a truncation is not valid for time-dependent calculations..., Comment: 23 pages, 12 figures

Becke and Edgecombe suggested in 1990 a theoretical tool to describe electron localization in atoms and molecules, an idea which was borrowed by a large number of nuclear theorists since 2011 to describe nucleon localization in nuclear systems. I argue here that these arguments are highly questionable and cannot be used in interacting systems, where effects beyond the naive mean field or the simple Hartree-Fock framework are important and the inclusion of correlations induced by particle interactions is necessary in order to introduce such a localization function. I also describe several aspects of the exchange and irreducible 2-body density matrices, which depend on the character and strength of the 2-particle interaction and, which can be useful in justifying the derivation of an appropriate energy density functional., Comment: 8 pages, title changed, text and references augmented

New experimental and theoretical results obtained in 2021 made it acutely clear that more than 80 years after the discovery of nuclear fission we do not understand the generation and dynamics of fission fragment (FF) intrinsic spins well, in particular their magnitudes, their spatial orientation, and their correlations. The magnitude and orientation of the primary FFs have a crucial role in defining the angular distribution and correlation between the emitted prompt neutrons, and subsequent emission of statistical (predominantly E1) and stretched E2 {\gamma}-rays, and their correlations with the final fission fragments. Here we present detailed microscopic evaluations of the FF intrinsic spins, for both even- and odd-mass FFs, and of their spatial correlations. These point to a well-defined 3D FF intrinsic spin dynamics, characteristics absent in semi-phenomenological studies, due to the presence of the twisting spin modes, which artificially were suppressed in semi-phenomenological studies., Comment: 4 pages, 3 figures

Just before a nucleus fissions a neck is formed between the emerging fission fragments. It is widely accepted that this neck undergoes a rather violent rupture, despite no direct experimental evidence, and only a few contentious theoretical treatments of this fission stage were ever performed in the more than eight decades since nuclear fission was experimentally observed by Hahn and Strassmann and described by Meitner and Frisch in 1939. In the same year, Bohr and Wheeler conjectured that the fission of the nuclear liquid drop would likely be accompanied by the rapid formation of tiny droplets, later identified with either scission neutrons or other ternary fission fragments, a process which has not yet been discussed in a fully quantum many-body framework. The main difficulty in addressing both of these stages of nuclear fission is both are highly non-equilibrium processes. Here we will present the first fully microscopic characterization of the scission mechanism, along with the spectrum and the spatial distribution of scission neutrons, and some upper limit estimates for the emission of charged particles., Comment: 5 pages, 4 figures

We have extended significantly the microscopic description of the fission process by examining a larger set of observables. We extract neutron and proton numbers of fission fragments, their spins and fission fragment relative orbital angular momentum and their correlations, investigate neutrons emitted at or shortly after scission, excitation energy sharing mechanism, total kinetic energy of fission fragments, and the entanglement entropy. I will present a short overview of our simulations obtained with two independent nuclear energy density functionals., Comment: 8 pages, 7 figures, prepared for the proceedings of 15th International Conference on Nuclear Data for Science and Technology (ND2022), July 24-29, 2022, published version

For quantum many-body systems with short-range correlations (SRCs), the intimate relationship between their magnitude, the behavior of the single-particle occupation probabilities at momenta larger than the Fermi momentum, and the entanglement entropy is a new qualitative aspect not studied and exploited yet. A large body of recent condensed matter studies indicate that the time evolution of the entanglement entropy describes the non-equilibrium dynamics of isolated and strongly interacting many-body systems, in a manner similar to the Boltzmann entropy, which is strictly defined for dilute and weakly interacting many-body systems. Both theoretical and experimental studies in nuclei and cold atomic gases have shown that the fermion momentum distribution has a generic behavior $n(k)=C/k^4$ at momenta larger than the Fermi momentum, due to the presence of SRCs, with approximately 20\% of the particles having momenta larger than the Fermi momentum. The presence of the long momentum tails in the presence of SRCs changes the textbook relation between the single-particle kinetic energy and occupation probabilities, $n_\text{mf}(k) = {1}/\{ 1+\exp\beta[\epsilon(k)-\mu]\}$ for momenta very different form the Fermi momentum, particularly for dynamics processes. SRCs induced high-momentum tails of the single-particle occupation probabilities increase the entanglement entropy of fermionic systems, which in its turn affects the dynamics of many nuclear reactions, such as heavy-ion collisions and nuclear fission., Comment: 8 pages, 5 figures, updated figures, tex, material and references in agreement with published version

There is no unique and widely accepted definition of the complexity measure (CM) of a many-fermion wave function in the presence of interactions. The simplest many-fermion wave function is a Slater determinant. In shell-model or configuration interaction (CI) and other related methods, the state is represented as a superposition of a large number of Slater determinants, which in case of CI calculations reaches about 20 billion terms. Although in practice this number has been used as a CM for decades, it is ill defined: it is not unique, and it depends on the particular type and the number of single-particle wave functions used to construct the Slater determinants. The canonical wave functions/natural orbitals and their corresponding occupation probabilities are intrinsic properties of any many-body wave function, irrespective of the representation, and they provide a unique solution to characterize the CM. The non-negative orbital entanglement entropy, which vanishes for a Slater determinant, provides the simplest CM, while a more complete measure of complexity is the entanglement spectrum. We illustrate these aspects in the case of a complex non-equilibrium time-dependent process, induced nuclear fission described within a real-time Density Functional Theory framework extended to superfluid systems, which can describe simultaneously the long-range and the short range correlations between fermions., Comment: 21 pages, 14 figures, published version

Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of the initial conditions, akin to the butterfly effect ubiquitous in classical dynamics. Since the Schr\"odinger equation for an interacting many-body system is however linear and mathematically the exact equations of the Density Functional Theory reproduce the corresponding one-body properties, it would follow that the Lyapunov exponents are also vanishing within a Density Functional Theory framework. Whether for realistic implementations of the Time-Dependent Density Functional Theory the question of absence of the butterfly effect and whether the dynamics provided is indeed a predictable theory was never discussed. At the same time, since the time-dependent density functional theory is a unique tool allowing us the study of non-equilibrium dynamics of strongly interacting many-fermion systems, the question of predictability of this theoretical framework is of paramount importance. Our analysis, for a number of quantum superfluid many-body systems (unitary Fermi gas, nuclear fission, and heavy-ion collisions) with a classical equivalent number of degrees of freedom ${\cal O}(10^{10})$ and larger, suggests that its maximum Lyapunov exponents are negligible for all practical purposes., Comment: 14 pages, 4 figures, published version

In typical microscopic approaches, particularly when pairing correlations are present, nuclei and nuclear fragments do not have well defined quantum numbers and symmetries should be restored. I present here a formalism for the simultaneous projection of total particle numbers of a nucleus, particle number of reaction fragments, and of the reaction fragment intrinsic spins and of their correlation, and also for their symmetry restored densities and total energies. These new formulas for the symmetry restored quantities, are free of any singularities, unlike those in the previously introduced prescriptions., Comment: 10 pages, published version, a number of corrections comlared to intial version

The generation of fission fragments (FF) spins and of their relative orbital angular momentum has been debated for more than six decades and no consensus has been yet achieved so far. (The published abstract, being too long, can be found in the manuscript.), Comment: 10 pages, 4 figures, published version

We present the first fully unrestricted microscopic calculations of the primary fission fragment intrinsic spins and of the fission fragments' relative orbital angular momentum for $^{236}$U$^*$, $^{240}$Pu$^*$, and $^{252}$Cf using the time-dependent density functional theory framework. Within this microscopic approach, free of restrictions and unchecked assumptions and which incorporates the relevant physical observables for describing fission, we evaluate the triple distribution of the fission fragment intrinsic spins and of their fission fragments' relative orbital angular momentum and show that their dynamics is dominated by their bending collective modes, in contradistinction to the predictions of the existing phenomenological models and some interpretations of experimental data., Comment: 6 pages, 4 figures, accepted version

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density approximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and take advantage of graphic processing units (GPU) for accelerating execution. The dynamic codes have checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. The code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vortices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wall generation and propagation, the dynamics of the Anderson-Bogoliubov-Higgs mode, dynamics of fragmented condensates, vortex rings dynamics, generation and dynamics of quantized vortices, their crossing and recombinations and the incipient phases of quantum turbulence.

I discuss the advantages and disadvantages of several procedures, some known and some new, for constructing stationary states within the mean field approximation for a system with pairing correlations and unequal numbers spin-up and spin-down fermions, using the two chemical potentials framework. One procedure in particular appears to have significant physics advantages over previously suggested in the literature computational frameworks. Moreover, this framework is applicable to study strongly polarized superfluid fermion systems with arbitrarily large polarizations and with arbitrary total particle numbers. These methods are equally applicable to normal systems., Comment: 13 pages, 5 figures, fix typos, inconsistent notations, figure labels, and a couple of numerical errors in Figs. 4b and 5a, added to additional panels to Fig. 5, extended text and references

Strongly correlated Fermi systems with pairing interactions become superfluid below a critical temperature $T_c$. The extent to which such pairing correlations alter the behavior of the liquid at temperatures $T > T_c$ is a subtle issue that remains an area of debate, in particular regarding the appearance of the so-called pseudogap in the BCS-BEC crossover of unpolarized spin-$1/2$ nonrelativistic matter. To shed light on this, we extract several quantities of crucial importance at and around the unitary limit, namely: the odd-even staggering of the total energy, the spin susceptibility, the pairing correlation function, the condensate fraction, and the critical temperature $T_c$, using a non-perturbative, constrained-ensemble quantum Monte Carlo algorithm., Comment: 6 pages (including references), 4 figures; Added Journal Reference

Recent developments in theoretical modeling and in computational power have allowed us to make significant progress on a goal not achieved yet in nuclear theory: a fully microscopic theory of nuclear fission. The complete microscopic description remains a computationally demanding task, but the information that can be provided by current calculations can be extremely useful to guide and constrain phenomenological approaches. First, a truly microscopic framework that can describe the real-time dynamics of the fissioning system can justify or rule out assumptions and approximations incompatible with an accurate quantum treatment or with our understanding of the inter nucleon interactions. Second, the microscopic approach can be used to obtain trends such as: the excitation energy sharing mechanism between fission fragments (FFs) with increasing excitation energy of the fissioning system, the angular momentum content of the FFs, or even to compute observables that cannot be otherwise calculated in phenomenological approaches or even measured, as in the case of astronomical environments. Merely the characterization of the trends would be of great importance for various application. We present here arguments that a truly microscopic approach to fission does not support the assumption of adiabaticity of the large amplitude collective motion in fission, particularly starting from the outer saddle down to the scission configuration., Comment: 14 pages, 7 figures,, published version

A point-by-point answer to the comment authored by S. Ayik and D. Lacroix is presented. At this point in time this text is not aimed at being submitted to Phys. Rev. C or any other journal, unless the authors of the comment choose to follow such an avenue. I also suggest a possible formulation of a stochastic mean field approach free of the difficulties in the stochastic mean field model due to S. Ayik., Comment: 6 pages

In reactions the wave packets of the emerging products typically are not eigenstates of particle number operators or any other conserved quantities and their properties are entangled. I describe a particle projection technique in parts of space, which eschews the need to evaluate Pfaffians in the case of overlap of generalized Slater determinants or Hartree-Fock-Bogoliubov type of vacua. The extension of these formulas for calculating either angular momentum or particle projected energy distributions of the reaction fragments are presented as well. The generalization to simultaneous particle and angular momentum projection of various reaction fragment observables is straightforward., Comment: Published version, 7 pages, 2 figures

In cold atoms and in the crust of neutron stars the pairing gap can reach values comparable with the Fermi energy. While in nuclei the neutron gap is smaller, it is still of the order of a few percent of the Fermi energy. The pairing mechanism in these systems is due to short range attractive interactions between fermions and the size of the Cooper pair is either comparable to the inter-particle separation or it can be as big as a nucleus, which is still relatively small in size. Such a strong pairing gap is the result of the superposition of a very large number of particle-particle configurations, which contribute to the formation of the Copper pairs. These systems have been shown to be the host of a large number of remarkable phenomena, in which the large magnitude of the pairing gap plays an essential role: quantum shock waves, quantum turbulence, Anderson-Higgs mode, vortex rings, domain walls, soliton vortices, vortex pinning in neutron star crust, unexpected dynamics of fragmented condensates and role of pairing correlations in collisions on heavy-ions, Larkin-Ovchinnikov phase as an example of a Fermi supersolid, role pairing correlations control the dynamics of fissioning nuclei, self-bound superfluid fermion droplets of extremely low densities., Comment: The published version, which corrected text and additional references

Calculations are presented for the time evolution of $^{240}$Pu from the proximity of the outer saddle point until the fission fragments are well separated, using the time-dependent density functional theory extended to superfluid systems. We have tested three families of nuclear energy density functionals and found that all functionals exhibit a similar dynamics: the collective motion is highly dissipative and with little trace of inertial dynamics, due to the one-body dissipation mechanism alone. This finding justifies the validity of using the overdamped collective motion approach and to some extent the main assumptions in statistical models of fission. This conclusion is robust with respect to the nuclear energy density functional used. The configurations and interactions left out of the present theory framework only increase the role of the dissipative couplings. An unexpected finding is varying the pairing strength within a quite large range has only minor effects on the dynamics. We find notable differences in the excitation energy sharing between the fission fragments in the cases of spontaneous and induced fission. With increasing initial excitation energy of the fissioning nucleus more excitation energy is deposited in the heavy fragment, in agreement with experimental data on average neutron multiplicities., Comment: Published version, 26 pages, 15 figures

We outline an extension of the classical Langevin equation to a quantum formulation of the treatment of dissipation and fluctuations of all collective degrees of freedom with unitary evolution of a many-fermion system within an extension of the time-dependent density functional theory. We illustrate the method by computing the distribution of fission fragment yields for $^{258}$Fm in a quantum hydrodynamic approach and a typical trajectory with full unrestricted density functional theory augmented with dissipation and fluctuations., Comment: 9 pages, 4 figures

We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by 7 significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation 1.46 MeV, two-neutron and two-proton separation energies with r.m.s. errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error $\epsilon_r=$0.022 fm and a standard deviation $\sigma_r=$0.025 fm. SeaLL1 incorporates constraints on the EoS of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN) interactions at N3LO level and three-body (NNN) interactions at the N2LO level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties, but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness., Comment: Updated to match published version. This article supersedes arXiv:1506.09195. Fit data provided in source files *.txt. (35 pages, 23 figures.)

We describe the fission dynamics of $^{240}$Pu within an implementation of the Density Functional Theory (DFT) extended to superfluid systems and real-time dynamics. We demonstrate the critical role played by the pairing correlations, which even though are not the driving force in this complex dynamics, are providing the essential lubricant, without which the nuclear shape evolution would come to a screeching halt. The evolution is found to be much slower than previously expected in this fully non-adiabatic treatment of nuclear dynamics, where there are no symmetry restrictions and all collective degrees of freedom (CDOF) are allowed to participate in the dynamics., Comment: 8 pages, 3 figures, Account of invited talk given at The 26th International Nuclear Physics Conference, 11-16 September, 2016, Adelaide, Australia (corrected a couple of silly typos)

The relative phase of the order parameters in the collision of two condensates can influence the outcome of their collision in the case of weak coupling. With increasing interaction strength however, the initially independent phases of the two order parameters in the colliding partners quickly become phase locked, as the strong coupling favors an overall phase rigidity of the entire condensate, and upon their separation the emerging superfluid fragments become entangled., Comment: substantial changes, 7 pages, 4 figures, including supplemental material

We investigate the dynamics of a quantized vortex and a nuclear impurity immersed in a neutron superfluid within a fully microscopic time-dependent three-dimensional approach. The magnitude and even the sign of the force between the quantized vortex and the nuclear impurity have been a matter of debate for over four decades. We determine that the vortex and the impurity repel at neutron densities, 0.014 fm$^{-3}$ and 0.031 fm$^{-3}$, which are relevant to the neutron star crust and the origin of glitches, while previous calculations have concluded that the force changes its sign between these two densities and predicted contradictory signs. The magnitude of the force increases with the density of neutron superfluid, while the magnitude of the pairing gap decreases in this density range., Comment: 4 pages, 2 figures, Talk given at the 14th International Symposium on "Nuclei in the Cosmos" (NIC-XIV), June 19-24, 2016, Toki Messe, Niigata, Japan

Fermionic superfluids provide a new realization of quantum turbulence, accessible to both experiment and theory, yet relevant to phenomena from both cold atoms to nuclear astrophysics. In particular, the strongly interacting Fermi gas realized in cold-atom experiments is closely related to dilute neutron matter in neutron star crusts. Unlike the liquid superfluids 4He (bosons) and 3He (fermions) where quantum turbulence has been studied in the laboratory, superfluid Fermi gases stand apart for a number of reasons. They admit a reliable theoretical description based on a DFT called the TDSLDA that describes both static and dynamic phenomena. Cold atom experiments demonstrate exquisite control over particle number, spin polarization, density, temperature, and interaction strength. Topological defects such as domain walls and quantized vortices, which lie at the heart of quantum turbulence, can be created and manipulated with time-dependent external potentials, and agree with the time-dependent theoretical techniques. While similar experimental and theoretical control exists for weakly interacting Bose gases, the unitary Fermi gas is strongly interacting. The resulting vortex line density is extremely high, and quantum turbulence may thus be realized in small systems where classical turbulence is suppressed. Fermi gases also permit the study of exotic superfluid phenomena such as a 3D LOFF supersolid, and a finite temperature pseudo-gap in the regime of classical turbulence. The dynamics associated with these phenomena has only started to be explored. Finally, superfluid mixtures have recently been realized, providing experimental access to phenomena like Andreev-Bashkin entrainment. Superfluid Fermi gases thus provide a rich forum for addressing phenomena related to quantum turbulence with applications ranging from terrestrial superfluidity to astrophysical dynamics in neutron stars., Comment: 12 pages, 5 figures: Updated to correspond with published version (minor updates, 1 new figure comparing theory and experiment)

Self-consistent approaches to superfluid many-fermion systems in 3-dimensions (and subsequent time-dependent approaches) require a large number of diagonalizations of very large dimension hermitian matrices, which results in enormous computational costs. We present an approach based on the shifted conjugate-orthogonal conjugate-gradient (COCG) method for the evaluation of the Green's function, from which we subsequently extract various densities (particle number, spin, current, kinetic energy, etc.) of a nuclear system needed in self-consistent approaches. The approach eschews the construction of the quasiparticle wavefunctions and their corresponding quasiparticle energies, which are never explicitly needed in any density functional approaches. As benchmarks we present calculations for nuclei with axial symmetry, including the ground state of spherical (magic or semi-magic) and axially deformed nuclei, the saddle-point in the $^{240}$Pu constrained fission path, and a vortex in the neutron star crust., Comment: 19 pages, 5 figures

The nature of the interaction between superfluid vortices and the neutron star crust, conjectured by Anderson and Itoh in 1975 to be at the heart vortex creep and the cause of glitches, has been a long-standing question in astrophysics. Using a qualitatively new approach, we follow the dynamics as superfluid vortices move in response to the presence of "nuclei" (nuclear defects in the crust). The resulting motion is perpendicular to the force, similar to the motion of a spinning top when pushed. We show that nuclei repel vortices in the neutron star crust, and characterize the force as a function of the vortex-nucleus separation., Comment: supplemental materials included

We describe the fissioning dynamics of Pu240 from a configuration in the proximity of the outer fission barrier to full scission and the formation of the fragments within an implementation of density functional theory extended to superfluid systems and real-time dynamics. The fission fragments emerge with properties similar to those determined experimentally, while the fission dynamics appears to be quite complex, with many excited shape and pairing modes. The evolution is found to be much slower than previously expected, and the ultimate role of the collective inertia is found to be negligible in this fully nonadiabatic treatment of nuclear dynamics, where all collective degrees of freedom (CDOF) are included (unlike adiabatic treatments with a small number of CDOF)., Comment: updated version in agreement with published paper, updated and new references, 7 pages, additional material at http://faculty.washington.edu/bulgac/Pu240/

We present the simplest nuclear energy density functional (NEDF) to date, determined by only 4 significant phenomenological parameters, yet capable of fitting measured nuclear masses with better accuracy than the Bethe-Weizs\"acker mass formula, while also describing density structures (charge radii, neutron skins etc.) and time-dependent phenomena (induced fission, giant resonances, low energy nuclear collisions, etc.). The 4 significant parameters are necessary to describe bulk nuclear properties (binding energies and charge radii); an additional 2 to 3 parameters have little influence on the bulk nuclear properties, but allow independent control of the density dependence of the symmetry energy and isovector excitations, in particular the Thomas-Reiche-Kuhn sum rule. This Hohenberg-Kohn-style of density functional theory successfully realizes Weizs\"acker's ideas and provides a computationally tractable model for a variety of static nuclear properties and dynamics, from finite nuclei to neutron stars, where it will also provide a new insight into the physics of the r-process, nucleosynthesis, and neutron star crust structure. This new NEDF clearly separates the bulk geometric properties - volume, surface, symmetry, and Coulomb energies which amount to 8MeV per nucleon or up to 2000MeV per nucleus for heavy nuclei - from finer details related to shell effects, pairing, isospin breaking, etc. which contribute at most a few MeV for the entire nucleus. Thus it provides a systematic framework for organizing various contributions to the NEDF. Measured and calculated physical observables - symmetry and saturation properties, the neutron matter equation of state, and the frequency of giant dipole resonances - lead directly to new terms not considered in current NEDF parameterizations., Comment: 25 pages, 12 figures

We present an ab initio calculation of the shear viscosity as a function of interaction strength in a two-component unpolarized Fermi gas near the unitary limit, within a finite temperature quantum Monte Carlo (QMC) framework and using the Kubo linear-response formalism. The shear viscosity decreases as we tune the interaction strength 1/ak_F from the Bardeen-Cooper-Schrieffer side of the Feshbach resonance towards Bose-Einstein condensation limit and it acquires the smallest value for 1/ak_F approx 0.4, with a minimum value of (eta/s)_min approx 0.2 hbar/k_B, which is about twice as small as the value reported for experiments in quark-gluon plasma (eta/s)_QGP lesssim 0.4 hbar/k_B. The Fermi gas near unitarity thus emerges as the most "perfect fluid" observed so far in nature. The clouds of dilute Fermi gas near unitarity exhibit the unusual attribute that, for the sizes realized so far in the laboratory or larger (less than 10^9 atoms), can sustain quantum turbulence below the critical temperature, but at the same time the classical turbulence is suppressed in the normal phase.

The unitary Fermi gas (UFG) offers an unique opportunity to study quantum turbulence both experimentally and theoretically in a strongly interacting fermionic superfluid. It yields to accurate and controlled experiments, and admits the only dynamical microscopic description via time-dependent density functional theory (DFT) - apart from dilute bosonic gases - of the crossing and reconnection of superfluid vortex lines conjectured by Feynman in 1955 to be at the origin of quantum turbulence in superfluids at zero temperature. We demonstrate how various vortex configurations can be generated by using well established experimental techniques: laser stirring and phase imprinting. New imagining techniques demonstrated by the MIT group [Ku et al. arXiv:1402.7052] should be able to directly visualize these crossings and reconnections in greater detail than performed so far in liquid helium. We demonstrate the critical role played by the geometry of the trap in the formation and dynamics of a vortex in the UFG and how laser stirring and phase imprint can be used to create vortex tangles with clear signatures of the onset of quantum turbulence., Comment: 4 pages + supplement. Added comparison with ETF model and quantum turbulence. Includes links to movies online at http://www.phys.washington.edu/~bulgac/media_files/VR2

We present a simple Hamiltonian description of the dynamics of a quantized vortex ring in a trapped superfluid, compare this description with dynamical simulations, and characterize the dependence of the dynamics of the shape of the trap., Comment: 3 pages, 1 figure

In a recent article, Yefsah et al. [Nature 499, 426 (2013)] report the observation of an unusual excitation in an elongated harmonically trapped unitary Fermi gas. After phase imprinting a domain wall, they observe oscillations almost an order of magnitude slower than predicted by any theory of domain walls which they interpret as a "heavy soliton" of inertial mass some 200 times larger than the free fermion mass or 50 times larger than expected for a domain wall. We present compelling evidence that this "soliton" is instead a quantized vortex ring by showing that the main aspects of the experiment can be naturally explained within the framework of time-dependent superfluid DFT., Comment: Minor changes to match published version, one new figure. Hi resolution figures and movies available at http://www.phys.washington.edu/~bulgac/media_files/VR

We introduce a type of quantum dissipation -- local quantum friction -- by adding to the Hamiltonian a local potential that breaks time-reversal invariance so as to cool the system. Unlike the Kossakowski-Lindblad master equation, local quantum friction directly effects unitary evolution of the wavefunctions rather than the density matrix: it may thus be used to cool fermionic many-body systems with thousands of wavefunctions that must remain orthogonal. In addition to providing an efficient way to simulate quantum dissipation and non-equilibrium dynamics, local quantum friction coupled with adiabatic state preparation significantly speeds up many-body simulations, making the solution of the time-dependent Schr\"odinger equation significantly simpler than the solution of its stationary counterpart., Comment: 5 pages, 3 figures, and 1 movie: see http://www.phys.washington.edu/~bulgac/media_files/ufg_tdslda.mpeg

The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments. This review showcases a wide range of UNEDF science results to illustrate this interplay.

We present an ab initio determination of the shear viscosity for the unitary Fermi gas based on finite temperature quantum Monte Carlo (QMC) calculations and the Kubo linear-response formalism. The results are confronted with the bound for the shear viscosity originating from hydrodynamic fluctuations. Assuming smoothness of the frequency dependent shear viscosity eta(omega), we show that the bound is violated in the low temperature regime and the violation occurs simultaneously with the onset of the Cooper paring in the system. In order to preserve the hydrodynamic bound in QMC eta(omega) has to possess a sharp structure located in the vicinity of zero frequency which is not resolved by an analytic continuation procedure.

We present an efficient and general method to compute vortex-pinning interactions - which arise in neutron stars, superconductors, and trapped cold atoms - at arbitrary separations using real-time dynamics. This method overcomes uncertainties associated with matter redistribution by the vortex position and the related choice of ensemble that plague the typical approach of comparing energy differences between stationary pinned and unpinned configurations: uncertainties that prevent agreement in the literature on the sign and magnitude of the vortex-nucleus interaction in the crust of neutron stars. We demonstrate and validate the method with Gross-Pitaevskii-like equations for the unitary Fermi gas, and demonstrate how the technique of adiabatic state preparation with time-dependent simulation can be used to calculate vortex-pinning interactions in fermionic systems such as the vortex-nucleus interaction in the crust of neutron stars., Comment: 5 pages, 2 figures

The discrete variable representation (DVR) basis is nearly optimal for numerically representing wave functions in nuclear physics: Suitable problems enjoy exponential convergence, yet the Hamiltonian remains sparse. We show that one can often use smaller basis sets than with the traditional harmonic oscillator basis, and still benefit from the simple analytic properties of the DVR bases which requires no overlap integrals, simply permit using various Jacobi coordinates, and admit straightforward analyses of the ultraviolet and infrared convergence properties., Comment: Published version: New figure demonstrating convergence for 3- and 4-body problems

The time-dependent superfluid local density approximation (TDSLDA) is an extension of the Hohenberg-Kohn density functional theory (DFT) to time-dependent phenomena in superfluid fermionic systems. Unlike linear response theory, which is only valid for weak external fields, the (TDSLDA) approach allows one to study non-linear excitations in fermionic superfluids, including large amplitude collective modes, and the response to strong external probes. Even in the case of weak external fields, the (TDSLDA) approach is technically easier to implement. We will illustrate the implementation of the (TDSLDA) for the unitary Fermi gas, where dimensional arguments and Galilean invariance simplify the form of the functional, and ab initio input from (QMC) simulations fix the coefficients to quite high precision., Comment: 6 pages, 1 figure. Unedited version of chapter to appear in Quantum Gases: Finite Temperature and Non-Equilibrium Dynamics (Vol. 1 Cold Atoms Series). N.P. Proukakis, S.A. Gardiner, M.J. Davis and M.H. Szymanska, eds. Imperial College Press, London, 2013 (in press). See http://www.icpress.co.uk/physics/p817.html

I describe the Time-Dependent Superfluid Local Density Approximation, which is an adiabatic extension of the Density Functional Theory to superfluid Fermi systems and their real-time dynamics. This new theoretical framework has been applied to describe a number of phenomena in cold atomic gases and nuclear collective motion: excitation of the Higgs modes in strongly interacting Fermi superfluids, generation of quantized vortices, crossing and reconnection of vortices, excitation of the superflow at velocities above the critical velocity, excitation of quantum shock waves and domain walls in the collisions of superfluid atomic clouds, excitation of collective states in nuclei., Comment: 49 pages, 14 figures

We present an ab initio determination of spin responses of the unitary Fermi gas, based on finite temperature quantum Monte Carlo calculations and the Kubo linear-response formalism. We determine the temperature dependence of the spin susceptibility and the spin conductivity. We show that both quantities exhibit suppression above the critical temperature of the superfluid to normal phase transition due to presence of the Cooper pairs. The spin diffusion transport coefficient does not display the existence of a minimum in the vicinity of the critical temperature and it drops to very low values D_s approx 0.8hbar/m in the superfluid phase. All these spin observables show a smooth and monotonic behavior with temperature when crossing the critical temperature T_c, until the Fermi liquid regime is attained at the temperature T*, where the pseudogap regime disappears., Comment: 9 pages, 8 figures; supplemental materials included; published version

I describe the foundation of a Density Functional Theory approach to include pairing correlations, which was applied to a variety of systems ranging from dilute fermions, to neutron stars and finite nuclei. Ground state properties as well as properties of excited states and time-dependent phenomena can be achieved in this manner within a formalism based on microscopic input., Comment: 12 pages, chapter in "Fifty Years of Nuclear BCS", eds. R.A. Broglia and V.Zelevinsky

We show that in the collision of two superfluid fermionic atomic clouds one observes the formation of quantum shock waves as discontinuities in the number density and collective flow velocity. Domain walls, which are topological excitations of the superfluid order parameter, are also generated and exhibit abrupt phase changes by $\pi$ and slower motion than the shock waves. The domain walls are distinct from the gray soliton train or number density ripples formed in the wake of the shock waves and observed in the collisions of superfluid bosonic atomic clouds. Domain walls with opposite phase jumps appear to collide elastically., Comment: published version, 4 pages, 6 figures

We show, using an ab initio approach based on Quantum Monte Carlo technique, that the pseudogap regime emerges in ultracold Fermi gases close to the unitary point. We locate the onset of this regime at a value of the interaction strength corresponding to (k_{F}a)^{-1}\approx -0.05 (a - scattering length). We determine the evolution of the gap as a function of temperature and interaction strength in the Fermi gas around the unitary limit and show that our results exhibit a remarkable agreement with the recent wave-vector resolved radio frequency spectroscopy data. Our results indicate that a finite temperature structure of the Fermi gas around unitarity is more complicated and involves the presence of the phase with preformed Cooper pairs, which however do not contribute to the long range order., Comment: 5 pages, 4 figures + 5 pages of supplementary online material

Superfluidity and superconductivity are remarkable manifestations of quantum coherence at a macroscopic scale. The dynamics of superfluids has dominated the study of these systems for decades now, but a comprehensive theoretical framework is still lacking. We introduce a local extension of the time-dependent density functional theory to describe the dynamics of fermionic superfluids. Within this approach one can correctly represent vortex quantization, generation, and dynamics, the transition from a superfluid to a normal phase and a number of other large amplitude collective modes which are beyond the scope of two-fluid hydrodynamics, Ginzburg-Landau and/or Gross-Pitaevskii approaches. We illustrate the power of this approach by studying the generation of quantized vortices, vortex rings, vortex reconnection, and transition from a superfluid to a normal state in real time for a unitary Fermi gas. We predict the emergence of a new qualitative phenomenon in superfluid dynamics of gases, the existence of stable superfluidity when the systems are stirred with velocities significantly exceeding the nominal Landau critical velocity in these systems., Comment: 5 pages main text + 20 pages supplemental material. 32 accompanying videos can be viewed and downloaded from http://www.phys.washington.edu/groups/qmbnt/UFG/ (Please follow instructions in supplemental material.)

In this chapter, we describe three related studies of the universal physics of two-component unitary Fermi gases with resonant short-ranged interactions. First we discuss an ab initio auxiliary field quantum Monte Carlo technique for calculating thermodynamic properties of the unitary gas from first principles. We then describe in detail a Density Functional Theory (DFT) fit to these thermodynamic properties: the Superfluid Local Density Approximation (SLDA) and its Asymmetric (ASLDA) generalization. We present several applications, including vortex structure, trapped systems, and a supersolid Larkin-Ovchinnikov (FFLO/LOFF) state. Finally, we discuss the time-dependent extension to the density functional (TDDFT) which can describe quantum dynamics in these systems, including non-adiabatic evolution, superfluid to normal transitions and other modes not accessible in traditional frameworks such as a Landau-Ginzburg, Gross-Pitaevskii, or quantum hydrodynamics., Comment: 73 pages, 20 figures. Chapter 9 in "The BCS-BEC Crossover and the Unitary Fermi Gas" edited by W. Zwerger (Springer, 2012). Updated to match published version