Related papers: Constrained-Path Auxiliary-Field Quantum Monte Car…
The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to this challenge. We discuss how these obstacles can be removed…
This article describes Monte-Carlo algorithms for charged systems using constrained updates for the electric field. The method is generalized to treat inhomogeneous dielectric media, electrolytes via the Poisson-Boltzmann equation and…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
It is shown on the basis of the multiplicative renormalization-group method of two-loop order that the low-energy effective Hamiltonian of a strongly coupled local electron-phonon system is mapped to the two-channel Kondo model. A phonon is…
In cond-mat/0306131 Huang {\em et al.} reported for the first time a numerical evidence for the predominance of small phonon momenta in the electron-phonon coupling induced by electronic correlation. They report also an upturn of the…
The present paper intends to present an extension of the constrained-path quantum Monte-Carlo approach allowing to reconstruct non-yrast states in order to reach the complete spectroscopy of nuclei within the interacting shell model. As in…
We introduce version 2.0 of the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with local and extended Hubbard and generalized…
We explore different ways of incorporating accurate trial wave functions into free projection auxiliary field quantum Monte Carlo (fp-AFQMC). Trial states employed include coupled cluster singles and doubles, multi-Slater, and symmetry…
We study a model describing electrons coupled to anti-ferromagnetic spin fluctuations, and consider the situation where hedgehog defects in the order parameter field are suppressed. Without hedgehogs, the bosonic sector of the theory can be…
We present the ground state extension of the efficient quantum Monte Carlo algorithm for lattice fermions of arXiv:1411.0683. Based on continuous-time expansion of imaginary-time projection operator, the algorithm is free of systematic…
We introduce QC-CBT-AFQMC, a hybrid algorithm that incorporates computational basis tomography (CBT) into the quantum-classical auxiliary-field quantum Monte Carlo (QC-AFQMC) method proposed by Huggins et al. [Nature 603, 416-420 (2022)],…
We present a reduced-scaling auxiliary-field quantum Monte Carlo (AFQMC) framework designed for large molecular systems and ensembles, with or without coupling to optical cavities. Our approach leverages the natural block sparsity of…
In this paper we employ a gaussian expansion within the finite-$U$ slave-bosons formalism to investigate the momentum structure of the electron-phonon vertex function in the Hubbard model as function of $U$ and $n$. The suppression of large…
We study the interplay of electron-electron and electron-phonon interactions in the course of electron-hole bound state formation for gapped solid state systems. Adapting the essentially approximation-free diagrammatic Monte Carlo method…
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-field quantum Monte Carlo (AFQMC) method working in a…
I present results from an extended Migdal-Eliashberg theory of electron-phonon interactions and superconductivity. The history of the electron-phonon problem is introduced, and then study of the intermediate parameter regime is justified…
In cavity quantum materials, entangling strongly correlated electrons with quantum light provides a unique opportunity to explore novel quantum phases and phase transitions absent in conventional solid-state materials. In this study, we…
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…
Using quantum Monte Carlo (QMC) simulations we study the ground-state properties of the one-dimensional fermionic Hubbard model in traps with an underlying lattice. Since due to the confining potential the density is space dependent,…