Related papers: The Generalized Green's function Cluster Expansion…
The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly efficient and intepretable parameterisation of symmetric polynomials that has achieved great success in modelling properties of many-particle systems. In the present work we…
A new scheme has been proposed to solve the B.E. condenstates in terms of Green's function approach. It has been shown that the radial wave function of two interacting atoms, moving in a common harmonic oscillator potential modified by an…
We extend the continuous-time hybridization expansion solver to a general form, where the hybridization function and retarded interaction are treated on equal footing. Correlation functions can now be directly obtained via functional…
A new simulation technique to obtain the synchronized steady-state solutions existing in coupled oscillator systems is presented. The technique departs from a semi-analytical formulation presented in previous works. It extends the model of…
This paper provides a generic framework of component analysis (CA) methods introducing a new expression for scatter matrices and Gram matrices, called Generalized Pairwise Expression (GPE). This expression is quite compact but highly…
We develop a diagrammatic approach for calculating the high temperature expansion of dynamic correlation functions, such as the electron Green's function and the time-dependent density-density and spin-spin correlation functions, for the…
We investigate the interaction of correlated electrons with acoustical phonons using the extended Hubbard-Holstein model in which both, the electron-phonon interaction and the on-site Coulomb repulsion are considered to be strong. The…
The generator coordinate method (GCM) casts the wavefunction as an integral over a weighted set of non-orthogonal single determinantal states. In principle this representation can be used like the configuration interaction (CI) or shell…
Excited-state electronic structure in strongly correlated systems remains challenging due to the exponential scaling of the many-body Hilbert space and the difficulty of constructing systematically controlled active spaces. Building on the…
Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi-component systems that enables comprehensive sampling of the many-dimensional configuration space. Here, we…
We describe a variational method to solve the Holstein model for an electron coupled to dynamical, quantum phonons on an infinite lattice. The variational space can be systematically expanded to achieve high accuracy with modest…
We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of Poisson equation using periodic Green functions. It is shown that the electrostatic energy…
We consider a model for 2D electrons in a very strong magnetic field (i.e. projected onto a single Landau level) and a random potential $V$. The computation of the averaged Green function for this system reduces to calculating the averaged…
We assess the accuracy of the cumulant expansion (CE) method, combined with the independent-particle approximation (IPA), for calculating charge mobility in electron-phonon systems. As representative testbeds, we consider the Peierls and…
We use Numerical Linked Cluster Expansions (NLCE) to study the site diluted transverse-field Ising model on the square-lattice at $T=0$. NLCE with a self-consistent mean-field on the boundary of the clusters is used to obtain the ground…
Path-integral approach to the tight-binding polaron is extended to multiple optical phonon modes of arbitrary dispersion and polarization. The non-linear lattice effects are neglected. Only one electron band is considered. The…
A detailed study of the Frohlich polaron model is performed on the basis of diagrammatic quantum Monte Carlo method. The method is further developed both quantitatively (performance) and qualitatively (new estimators), and is enhanced by…
In semi-classical transport, it has become common practice over the past few decades to use ensemble Monte Carlo (EMC) methods for the simulation of transport in semiconductor devices. This method utilizes particles while still addressing…
An efficient continuous-time path-integral Quantum Monte Carlo algorithm for the lattice polaron is presented. It is based on Feynman's integration of phonons and subsequent simulation of the resulting single-particle self-interacting…
We study the ground-state properties of a dilute gas of strongly-interacting fermions in the framework of the coupled-cluster expansion (CCE). We demonstrate that properties such as universality, opening of a gap in the excitation spectrum…