arXiv subjects

E. Vitali

Publications and source records attributed to E. Vitali.

16 recordsLinked to original sources

arXiv2017

Statistical and computational intelligence approach to analytic continuation in Quantum Monte Carlo

The term analytic continuation emerges in many branches of Mathematics, Physics, and, more generally, applied Science. Generally speaking, in many situations, given some amount of information that could arise from experimental or numerical measurements, one is interested in extending the domain of such information, to infer the values of some variables which are central for the study of a given problem. For example, focusing on Condensed Matter Physics, state-of-the-art methodologies to study strongly correlated quantum physical systems are able to yield accurate estimations of dynamical correlations in imaginary time. Those functions have to be extended to the whole complex plane, via analytic continuation, in order to infer real-time properties of those physical systems. In this Review, we will present the Genetic Inversion via Falsification of Theories method, which allowed us to compute dynamical properties of strongly interacting quantum many--body systems with very high accuracy. Even though the method arose in the realm of Condensed Matter Physics, it provides a very general framework to face analytic continuation problems that could emerge in several areas of applied Science. Here we provide a pedagogical review that elucidates the approach we have developed.

cond-mat.stat-mech↗

arXiv2016

Linear response of one-dimensional liquid $^4$He to external perturbations

We study the response of one-dimensional liquid $^4$He to weak perturbations relying on the dynamical structure factor, $S(q,ω)$, recently obtained via ab-initio techniques [Phys. Rev. Lett. 116, 135302 (2016)]. We evaluate the drag force, $F_v$, experienced by an impurity moving along the system with velocity $v$ and the static response function, $χ(q)$, describing the density modulations induced by a periodic perturbation with wave vector $q$.

cond-mat.other↗

arXiv2016

Dynamical structure factor of one-dimensional hard rods

The zero-temperature dynamical structure factor $S(q,ω)$ of one-dimensional hard rods is computed using state-of-the-art quantum Monte Carlo and analytic continuation techniques, complemented by a Bethe Ansatz analysis. As the density increases, $S(q,ω)$ reveals a crossover from the Tonks-Girardeau gas to a quasi-solid regime, along which the low-energy properties are found in agreement with the nonlinear Luttinger liquid theory. Our quantitative estimate of $S(q,ω)$ extends beyond the low-energy limit and confirms a theoretical prediction regarding the behavior of $S(q,ω)$ at specific wavevectors $\mathcal{Q}_n=n 2 π/a$, where $a$ is the core radius, resulting from the interplay of the particle-hole boundaries of suitably rescaled ideal Fermi gases. We observe significant similarities between hard rods and one-dimensional $^4$He at high density, suggesting that the hard-rods model may provide an accurate description of dense one-dimensional liquids of quantum particles interacting through a strongly repulsive, finite-range potential.

cond-mat.other↗

arXiv2016

One-dimensional liquid $^4$He: dynamical properties beyond Luttinger liquid theory

We compute the zero-temperature dynamical structure factor of one-dimensional liquid $^4$He by means of state-of-the-art Quantum Monte Carlo and analytic continuation techniques. By increasing the density, the dynamical structure factor reveals a transition from a highly compressible critical liquid to a quasi-solid regime. In the low-energy limit, the dynamical structure factor can be described by the quantum hydrodynamic Luttinger liquid theory, with a Luttinger parameter spanning all possible values by increasing the density. At higher energies, our approach provides quantitative results beyond the Luttinger liquid theory. In particular, as the density increases, the interplay between dimensionality and interaction makes the dynamical structure factor manifest a pseudo {\it{particle-hole}} continuum typical of fermionic systems. At the low-energy boundary of such region and moderate densities, we find consistency, within statistical uncertainties, with predictions of a power-law structure by the recently-developed non-linear Luttinger liquid theory. In the quasi-solid regime we observe a novel behavior at intermediate momenta, which can be described by new analytical relations that we derive for the hard-rods model.

cond-mat.other↗

arXiv2015

Imaginary Time Correlations for a High-Density two-dimensional Electron Gas

We evaluate imaginary time density-density correlation functions for a two-dimensional homogeneous electron gas using the phaseless auxiliary field quantum Monte Carlo method. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems; we present simulations of a number up to 42 correlated fermions in the continuum, using up to 300 plane waves as basis set elements. We discuss the numerical stabilization techniques and the computational complexity of the methodology. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of many-fermion systems.

cond-mat.str-el↗

arXiv2014

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.

cond-mat.str-el↗

arXiv2013

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.

cond-mat.str-el↗

arXiv2013

Excitation spectrum in two-dimensional superfluid 4He

In this work we perform an ab-initio study of an ideal two-dimensional sample of 4He atoms, a model for 4He films adsorbed on several kinds of substrates. Starting from a realistic hamiltonian we face the microscopic study of the excitation phonon-roton spectrum of the system at zero temperature. Our approach relies on Path Integral Ground State Monte Carlo projection methods, allowing to evaluate exactly the dynamical density correlation functions in imaginary time, and this gives access to the dynamical structure factor of the system S(q,omega), containing information about the excitation spectrum E(q), resulting in sharp peaks in S(q,omega). The actual evaluation of S(q,omega) requires the inversion of the Laplace transform in ill-posed conditions, which we face via the Genetic Inversion via Falsification of Theories technique. We explore the full density range from the region of spinodal decomposition to the freezing density, i.e. 0.0321 A^-2 - 0.0658 A^-2. In particular we follow the density dependence of the excitation spectrum, focusing on the low wave--vector behavior of E(q), the roton dispersion, the strength of single quasi--particle peak, Z(q), and the static density response function, chi(q). As the density increases, the dispersion E(q) at low wave--vector changes from a super-linear (anomalous dispersion) trend to a sub-linear (normal dispersion) one, anticipating the crystallization of the system; at the same time the maxon-roton structure, which is barely visible at low density, becomes well developed at high densities and the roton wave vector has a strong density dependence. Connection is made with recent inelastic neutron scattering results from highly ordered silica nanopores partially filled with 4He.

cond-mat.other↗

arXiv2013

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.

cond-mat.other↗

arXiv2012

Equation of state of two--dimensional $^3$He at zero temperature

We have performed a Quantum Monte Carlo study of a two-dimensional bulk sample of interacting 1/2-spin structureless fermions, a model of $^3$He adsorbed on a variety of preplated graphite substrates. We have computed the equation of state and the polarization energy using both the standard fixed-node approximate technique and a formally exact methodology, relying on bosonic imaginary-time correlation functions of operators suitably chosen in order to extract fermionic energies. As the density increases, the fixed-node approximation predicts a transition to an itinerant ferromagnetic fluid, whereas the unbiased methodology indicates that the paramagnetic fluid is the stable phase until crystallization takes place. We find that two-dimensional $^3$He at zero temperature crystallizes from the paramagnetic fluid at a density of 0.061 Å$^{-2}$ with a narrow coexistence region of about 0.002 Å$^{-2}$. Remarkably, the spin susceptibility turns out in very good agreement with experiments.

cond-mat.stat-mech↗

arXiv2010

Ab-initio low-energy dynamics of superfluid and solid 4He

We have extracted information about real time dynamics of 4He systems from noisy imaginary time correlation functions f(tau) computed via Quantum Monte Carlo (QMC): production and falsification of model spectral functions s(omega) are obtained via a survival-to-compatibility with f(tau) evolutionary process, based on Genetic Algorithms. Statistical uncertainty in f(tau) is promoted to be an asset via a sampling of equivalent f(tau) within the noise, which give rise to independent evolutionary processes. In the case of pure superfluid 4He we have recovered from exact QMC simulations sharp quasi-particle excitations with spectral functions displaying also the multiphonon branch. As further applications, we have studied the impuriton branch of one 3He atom in liquid 4He and the vacancy-wave excitations in hcp solid 4He finding a novel roton like feature.

cond-mat.other↗

arXiv2010

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.

cond-mat.other↗

arXiv2008

Zero-point vacancies in quantum solids

A Jastrow wave function (JWF) and a shadow wave function (SWF) describe a quantum solid with Bose--Einstein condensate; i.e. a supersolid. It is known that both JWF and SWF describe a quantum solid with also a finite equilibrium concentration of vacancies x_v. We outline a route for estimating x_v by exploiting the existing formal equivalence between the absolute square of the ground state wave function and the Boltzmann weight of a classical solid. We compute x_v for the quantum solids described by JWF and SWF employing very accurate numerical techniques. For JWF we find a very small value for the zero point vacancy concentration, x_v=(1.4\pm0.1) x 10^-6. For SWF, which presently gives the best variational description of solid 4He, we find the significantly larger value x_v=(1.4\pm0.1) x 10^-3 at a density close to melting. We also study two and three vacancies. We find that there is a strong short range attraction but the vacancies do not form a bound state.

cond-mat.other↗

arXiv2008

Zero-temperature study of vacancies in solid 4He

We are investigating the properties of vacancies in solid 4He with the exact zero temperature SPIGS method. Our aim is to study the possibility of phase--separation between vacancies and the perfect crystal. We find a significant correlation among vacancies both in two and in three dimensional solid 4He. In 3D we have considered up to 5 vacancies in a hcp crystal at a density rho = 0.0293 AA^-3, close to the melting, and in 2D we have considered up to 6 vacancies in a triangular crystal at rho = 0.0765 AA^-2. In all the considered cases the correlation among vacancies seems to display an exponential decay that would suggest the presence of a bound state. The systematically sublinear dependence on the number of vacancies found for the activation energy strengthens the indication of an attractive interaction, even if we have direct evidence that vacancies do not form a single compact cluster.

cond-mat.other↗

arXiv2008

Path Integral Ground State study of 2D solid 4He

We have studied a two-dimensional triangular commensurate crystal of 4He with the exact T=0 K Path Integral Ground State (PIGS) Monte Carlo method. We have projected onto the true ground state both a Jastrow-Nosanow wave function, in which equilibrium positions are explicitly given and no Bose-Einstein (BEC) is present, and a translationally invariant shadow wave function, in which the solid phase emerges through a spontaneously broken symmetry process and it has BEC. We find a remarkable convergence to the same properties, both the diagonal ones as well as the off-diagonal one-body density matrix rho_1. This supplies a strong evidence that no variational bias are present in the PIGS method. We find no BEC in the commensurate 2D 4He crystal at T=0 K, rho_1 shows an exponential decay in the large distance range. The structure found in rho_1 is due to virtual vacancy--interstitial pairs and this shows up in the momentum distribution.

cond-mat.other↗

arXiv2007

Microscopic studies of solid 4He with Path Integral Projector Monte Carlo

We have investigated the ground state properties of solid $^4$He with the Shadow Path Integral Ground State method. This exact T=0 K projector method allows to describes quantum solids without introducing any a priori equilibrium position. We have found that the efficiency in computing off-diagonal properties in the solid phase sensibly improves when the direct sampling of permutations, in principle not required, is introduced. We have computed the exact one-body density matrix (obdm) in large commensurate 4He crystal finding a decreasing condensate fraction with increasing imaginary time of projection, making our result not conclusive on the presence of Bose-Einstein condensation in bulk solid 4He. We can only give an upper bound of 2.5 times 10^-8 on the condensate fraction. We have exploited the SPIGS method to study also 4He crystal containing grain boundaries by computing the related surface energy and the obdm along these defects. We have found that also highly symmetrical grain boundaries have a finite condensate fraction. We have also derived a route for the estimation of the true equilibrium concentration of vacancies x_v in bulk T=0 K solid 4He, which is shown to be finite, x_v=0.0014(1) at the melting density, when computed with the variational shadow wave function technique.

cond-mat.other↗