Related papers: The Generalized Green's function Cluster Expansion…
A new Monte Carlo algorithm for calculating polaron effective mass is proposed. It is based on the path-integral representation of a partial partition function with fixed total quasi-momentum. Phonon degrees of freedom are integrated out…
New efficient and accurate numerical methods are proposed to compute ground states and dynamics of dipolar Bose-Einstein condensates (BECs) described by a three-dimensional (3D) Gross-Pitaevskii equation (GPE) with a dipolar interaction…
The Energy Density Functional theory is one of the most used methods developed in nuclear structure. It is based on the assumption that the energy of the ground state is a functional only of the density profile. The method is extremely…
A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter. To this end, the averaging of…
We describe various expansion schemes that can be used to study gravitational clustering. Obtained from the equations of motion or their path-integral formulation, they provide several perturbative expansions that are organized in different…
Free-particle Green's function plays a central role in the theoretical description of electron scattering and autoionization processes in quantum physics and chemistry. Recently, Gaussian basis set approaches have become increasingly…
We identify a fundamental challenge for non-perturbative linked cluster expansions (NLCEs) resulting from the reduced symmetry on graphs, most importantly the breaking of translational symmetry, when targeting the properties of excited…
Numerical linked-cluster expansions allow one to calculate finite-temperature properties of quantum lattice models directly in the thermodynamic limit through exact solutions of small clusters. However, full diagonalization is often the…
We present an algorithm that extends existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed matter physics to include bosons in general and phonons in particular. We introduce a qubit representation…
In this work we present a three step procedure for generating a closed form expression of the Green's function on both closed and open finite quantum graphs with general self-adjoint matching conditions. We first generalize and simplify the…
We present a 3-dimensional (3D) numerical solver of the linearized compressible Euler equations (GALE -- Global Acoustic Linearized Euler), used to model acoustic oscillations throughout the solar interior. The governing equations are…
A simple model of noninteracting electrons with a separable one-body potential is used to discuss the possible pole structure of single particle Green's functions for fermions on unphysical sheets in the complex frequency plane as a…
The Fr\"ohlich polaron model describes a ubiquitous class of problems concerned with understanding properties of a single mobile particle interacting with a bosonic reservoir. Originally introduced in the context of electrons interacting…
Average atom models are widely used to make equation of state tables and for calculating other properties of materials over a wide range of conditions, from zero temperature isolated atom to fully ionized free electron gases. The numerical…
We introduce a Generalized Loop Move (GLM) update for Monte Carlo simulations of frustrated Ising models on two-dimensional lattices with bond-sharing plaquettes. The GLM updates are designed to enhance Monte Carlo sampling efficiency when…
The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…
The electron-phonon ($e$-ph) coupling system often has a large number of phonon degrees of freedom, whose spectral functions are numerically difficult to compute using matrix product state (MPS) formalisms. To solve this problem, we propose…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…
We present an efficient implementation of coupled-cluster Green's function (CCGF) method for simulating photoemission spectra of periodic systems. We formulate the periodic CCGF approach with Brillouin zone sampling in Gaussian basis at the…
We apply the Tensor Train (TT) approximation to construct the Polynomial Chaos Expansion (PCE) of a random field, and solve the stochastic elliptic diffusion PDE with the stochastic Galerkin discretization. We compare two strategies of the…