Bose Einstein Condensation of incommensurate solid 4He

It is pointed out that simulation computation of energy performed so far cannot be used to decide if the ground state of solid 4He has the number of lattice sites equal to the number of atoms (commensurate state) or if it is different (incommensurate state). The best variational wave function, a shadow wave function, gives an incommensurate state but the equilibrium concentration of vacancies remains to be determined. In order to investigate the presence of a supersolid phase we have computed the one--body density matrix in solid 4He for the incommensurate state by means of the exact Shadow Path Integral Ground State projector method. We find a vacancy induced Bose Einstein condensation of about 0.23 atoms per vacancy at a pressure of 54 bar. This means that bulk solid 4He is supersolid at low enough temperature if the exact ground state is incommensurate.Comment: 5 pages, 2 figure

Dynamic structure factor for 3He in two-dimensions

Recent neutron scattering experiments on 3He films have observed a zero-sound mode, its dispersion relation and its merging with -and possibly emerging from- the particle-hole continuum. Here we address the study of the excitations in the system via quantum Monte Carlo methods: we suggest a practical scheme to calculate imaginary time correlation functions for moderate-size fermionic systems. Combined with an efficient method for analytic continuation, this scheme affords an extremely convincing description of the experimental findings.Comment: 5 pages, 5 figure

Implementation of the Linear Method for the optimization of Jastrow-Feenberg and Backflow Correlations

We present a fully detailed and highly performing implementation of the Linear Method [J. Toulouse and C. J. Umrigar (2007)] to optimize Jastrow-Feenberg and Backflow Correlations in many-body wave-functions, which are widely used in condensed matter physics. We show that it is possible to implement such optimization scheme performing analytical derivatives of the wave-function with respect to the variational parameters achieving the best possible complexity O(N^3) in the number of particles N.Comment: submitted to the Comp. Phys. Com

Imaginary Time Correlations and the phaseless Auxiliary Field Quantum Monte Carlo

The phaseless Auxiliary Field Quantum Monte Carlo method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we apply the method to the calculation of imaginary time correlation functions. We give a detailed description of the technique and we test the quality of the results for static and dynamic properties against exact values for small systems.Comment: 13 pages, 6 figures; submitted to J. Chem. Phy

Bounds for the Superfluid Fraction from Exact Quantum Monte Carlo Local Densities

For solid 4He and solid p-H2, using the flow-energy-minimizing one-body phase function and exact T=0 K Monte Carlo calculations of the local density, we have calculated the phase function, the velocity profile and upper bounds for the superfluid fraction f_s. At the melting pressure for solid 4He we find that f_s < 0.20-0.21, about ten times what is observed. This strongly indicates that the theory for the calculation of these upper bounds needs substantial improvements.Comment: to be published in Phys. Rev. B (Brief Reports

Exact ground state Monte Carlo method for Bosons without importance sampling

Generally ``exact'' Quantum Monte Carlo computations for the ground state of many Bosons make use of importance sampling. The importance sampling is based, either on a guiding function or on an initial variational wave function. Here we investigate the need of importance sampling in the case of Path Integral Ground State (PIGS) Monte Carlo. PIGS is based on a discrete imaginary time evolution of an initial wave function with a non zero overlap with the ground state, that gives rise to a discrete path which is sampled via a Metropolis like algorithm. In principle the exact ground state is reached in the limit of an infinite imaginary time evolution, but actual computations are based on finite time evolutions and the question is whether such computations give unbiased exact results. We have studied bulk liquid and solid 4He with PIGS by considering as initial wave function a constant, i.e. the ground state of an ideal Bose gas. This implies that the evolution toward the ground state is driven only by the imaginary time propagator, i.e. there is no importance sampling. For both the phases we obtain results converging to those obtained by considering the best available variational wave function (the Shadow wave function) as initial wave function. Moreover we obtain the same results even by considering wave functions with the wrong correlations, for instance a wave function of a strongly localized Einstein crystal for the liquid phase. This convergence is true not only for diagonal properties such as the energy, the radial distribution function and the static structure factor, but also for off-diagonal ones, such as the one--body density matrix. From this analysis we conclude that zero temperature PIGS calculations can be as unbiased as those of finite temperature Path Integral Monte Carlo.Comment: 11 pages, 10 figure

Quantum dislocations: the fate of multiple vacancies in two dimensional solid 4He

Defects are believed to play a fundamental role in the supersolid state of 4He. We have studied solid 4He in two dimensions (2D) as function of the number of vacancies n_v, up to 30, inserted in the initial configuration at rho = 0.0765 A^-2, close to the melting density, with the exact zero temperature Shadow Path Integral Ground State method. The crystalline order is found to be stable also in presence of many vacancies and we observe two completely different regimes. For small n_v, up to about 6, vacancies form a bound state and cause a decrease of the crystalline order. At larger n_v, the formation energy of an extra vacancy at fixed density decreases by one order of magnitude to about 0.6 K. In the equilibrated state it is no more possible to recognize vacancies because they mainly transform into quantum dislocations and crystalline order is found almost independent on how many vacancies have been inserted in the initial configuration. The one--body density matrix in this latter regime shows a non decaying large distance tail: dislocations, that in 2D are point defects, turn out to be mobile, their number is fluctuating, and they are able to induce exchanges of particles across the system mainly triggered by the dislocation cores. These results indicate that the notion of incommensurate versus commensurate state loses meaning for solid 4He in 2D, because the number of lattice sites becomes ill defined when the system is not commensurate. Crystalline order is found to be stable also in 3D in presence of up to 100 vacancies