Quantum Monte Carlo and related approaches
As the name implies, Monte Carlo (MC) methods employ random numbers to solve
problems. The range of problems that may be treated by MC is substantial; these include …
problems. The range of problems that may be treated by MC is substantial; these include …
Deep-neural-network solution of the electronic Schrödinger equation
The electronic Schrödinger equation can only be solved analytically for the hydrogen atom,
and the numerically exact full configuration-interaction method is exponentially expensive in …
and the numerically exact full configuration-interaction method is exponentially expensive in …
Applications of quantum Monte Carlo methods in condensed systems
Abstract Quantum Monte Carlo methods represent a powerful and broadly applicable
computational tool for finding very accurate solutions of the stationary Schrödinger equation …
computational tool for finding very accurate solutions of the stationary Schrödinger equation …
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
QMCPACK is an open source quantum Monte Carlo package for ab initio electronic
structure calculations. It supports calculations of metallic and insulating solids, molecules …
structure calculations. It supports calculations of metallic and insulating solids, molecules …
[HTML][HTML] QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
We review recent advances in the capabilities of the open source ab initio Quantum Monte
Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency …
Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency …
[BOOK][B] Quantum Monte Carlo Methods
J Gubernatis, N Kawashima, P Werner - 2016 - books.google.com
Featuring detailed explanations of the major algorithms used in quantum Monte Carlo
simulations, this is the first textbook of its kind to provide a pedagogical overview of the field …
simulations, this is the first textbook of its kind to provide a pedagogical overview of the field …
Reference energies for double excitations
Excited states exhibiting double-excitation character are notoriously difficult to model using
conventional single-reference methods, such as adiabatic time-dependent density functional …
conventional single-reference methods, such as adiabatic time-dependent density functional …
[HTML][HTML] Excited states using semistochastic heat-bath configuration interaction
We extend our recently developed heat-bath configuration interaction (HCI) algorithm, and
our semistochastic algorithm for performing multireference perturbation theory, to calculate …
our semistochastic algorithm for performing multireference perturbation theory, to calculate …
[HTML][HTML] mVMC—Open-source software for many-variable variational Monte Carlo method
Abstract mVMC (many-variable Variational Monte Carlo) is an open-source software
package based on the variational Monte Carlo method applicable for a wide range of …
package based on the variational Monte Carlo method applicable for a wide range of …
Noncovalent interactions by quantum Monte Carlo
Quantum Monte Carlo (QMC) is a family of stochastic methods for solving quantum many-
body problems such as the stationary Schrödinger equation. The review introduces basic …
body problems such as the stationary Schrödinger equation. The review introduces basic …