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A self-contained and tutorial presentation of the diffusion Monte Carlo method for determining the ground state energy and wave function of quantum systems is provided. First, the theoretical basis of the method is derived and then a…
A theoretical study is reported of the molecular-to-atomic transition in solid hydrogen at high pressure. We use the diffusion quantum Monte Carlo method to calculate the static lattice energies of the competing phases and a…
In a recent experiment [Vochezer {\it et al.,} Phys. Rev. Lett. \textbf{120}, 073602 (2018)], a novel kind of hybrid atom-opto-mechanical system has been realized by coupling atoms in a lattice to a membrane. While such system promises a…
We review a recent approach for the simulation of many-body interacting systems based on an efficient generalization of the Lanczos method for Quantum Monte Carlo simulations. This technique allows to perform systematic corrections to a…
The many-body diffusion quantum Monte Carlo (DMC) method with twist-averaged boundary conditions is used to calculate the ground-state equation of state and the energetics of point defects in fcc aluminum using supercells up to 1331 atoms.…
In this paper, we propose and analyze a new stochastic homogenization method for diffusion equations with random and fast oscillatory coefficients. In the proposed method, the homogenized solutions are sought through a two-stage procedure.…
Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the…
Recently, the use of neural quantum states for describing the ground state of many- and few-body problems has been gaining popularity because of their high expressivity and ability to handle intractably large Hilbert spaces. In particular,…
In this paper, we consider numerical homogenization of acoustic wave equations with heterogeneous coefficients, namely, when the bulk modulus and the density of the medium are only bounded. We show that under a Cordes type condition the…
In this article, we present and analyze a finite element numerical scheme for a three-component macromolecular microsphere composite (MMC) hydrogel model, which takes the form of a ternary Cahn-Hilliard-type equation with…
Exploring supersolidity in naturally occurring and artificially designed systems has been and will continue to be an area of immense interest. Here, we study how superfluid and charge-density-wave (CDW) states cooperate or compete in a…
We use a stochastic series expansion quantum Monte Carlo method to study the phase diagram of the one-dimensional extended Hubbard model at half filling for small to intermediate values of the on-site (U) and nearest-neighbor (V)…
By Using the variational Monte Carlo (VMC) method, we calculate the 1s{\sigma}_g state energies, the dissociation energies and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field…
Understanding quantum many-body states of correlated electrons is one main theme in modern condensed matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, has been recently realized in ultracold optical…
This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave functions and are capable of achieving very high accuracy. The…
We perform a variational quantum Monte Carlo simulation of the transition from a Bardeen-Cooper-Schrieffer superfluid (BCS) to a Bose-Einstein condensate (BEC) at zero temperature. The model Hamiltonian involves an attractive short range…
A new method of pseudo-state discretization is proposed for the method of continuum discretized coupled channels (CDCC) to deal with three-body breakup processes. We propose real- and complex-range Gaussian bases for the pseudo-state wave…
We encode the many-body wavefunction of a Bose-Einstein condensate (BEC) in the $N$-particle sector of an extended catalytic state. This catalytic state is a coherent state for the condensate mode and an arbitrary state for the modes…
We apply the Hulth\`en-Kohn method suggested by V. D. Efros [Phys. Rev. C 99, 034620 (2019)] for calculating various observables in the continuum and discrete spectrum using two-body interactions in single- and coupled-channel systems. This…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…