Computing accurate forces in quantum Monte Carlo using Pulay’s corrections and energy minimization

Mosé Casalegno; Massimo Mella; Andrew M. Rappe

doi:10.1063/1.1562605

Computing accurate forces in quantum Monte Carlo using Pulay’s corrections and energy minimization

The Journal of Chemical Physics ◽

10.1063/1.1562605 ◽

2003 ◽

Vol 118 (16) ◽

pp. 7193 ◽

Cited By ~ 42

Author(s):

Mosé Casalegno ◽

Massimo Mella ◽

Andrew M. Rappe

Keyword(s):

Monte Carlo ◽

Energy Minimization ◽

Quantum Monte Carlo

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Optimization of quantum Monte Carlo wave functions by energy minimization

The Journal of Chemical Physics ◽

10.1063/1.2437215 ◽

2007 ◽

Vol 126 (8) ◽

pp. 084102 ◽

Cited By ~ 182

Author(s):

Julien Toulouse ◽

C. J. Umrigar

Keyword(s):

Monte Carlo ◽

Energy Minimization ◽

Quantum Monte Carlo ◽

Wave Functions

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Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz

The Journal of Chemical Physics ◽

10.1063/1.4922048 ◽

2015 ◽

Vol 142 (21) ◽

pp. 214109 ◽

Cited By ~ 15

Author(s):

Nicolas Dupuy ◽

Samira Bouaouli ◽

Francesco Mauri ◽

Sandro Sorella ◽

Michele Casula

Keyword(s):

Monte Carlo ◽

Excited State ◽

Energy Minimization ◽

Quantum Monte Carlo ◽

Electronic Excited State

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Quantum Monte Carlo Approaches for Correlated Systems

10.1017/9781316417041 ◽

2017 ◽

Cited By ~ 70

Author(s):

Federico Becca ◽

Sandro Sorella

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Correlated Systems

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APPLYING QUANTUM MONTE CARLO TO THE ELECTRONIC STRUCTURE PROBLEM

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tk13 ◽

2016 ◽

Author(s):

Andrew Powell ◽

Richard Dawes

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Structure Problem

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Quantum Monte Carlo Methods in Equilibrium and Nonequilibrium Systems

10.1007/978-3-642-83154-6 ◽

1987 ◽

Cited By ~ 29

Keyword(s):

Monte Carlo ◽

Monte Carlo Methods ◽

Quantum Monte Carlo ◽

Nonequilibrium Systems ◽

Quantum Monte Carlo Methods

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Diffusion quantum Monte Carlo

Physics Subject Headings (PhySH) ◽

10.29172/b9e02b47-e089-442d-ad1c-a29f2e65c709 ◽

2018 ◽

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo

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Determining the Complexity of the Quantum Adiabatic Algorithm using Quantum Monte Carlo Simulations

10.21236/ada579742 ◽

2012 ◽

Author(s):

A. P. Young

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Simulations

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A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots

Computer Physics Communications ◽

10.1016/j.cpc.2020.107782 ◽

2021 ◽

Vol 261 ◽

pp. 107782

Author(s):

Josep Planelles ◽

Juan I. Climente

Keyword(s):

Quantum Dots ◽

Monte Carlo ◽

Effective Mass ◽

Quantum Monte Carlo ◽

Effective Mass Approach

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Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations

Physical Review B ◽

10.1103/physrevb.103.075138 ◽

2021 ◽

Vol 103 (7) ◽

Author(s):

Siyuan Chen ◽

Mario Motta ◽

Fengjie Ma ◽

Shiwei Zhang

Keyword(s):

Monte Carlo ◽

Plane Wave ◽

Ab Initio ◽

Quantum Monte Carlo ◽

Auxiliary Field ◽

Many Body ◽

Electronic Density ◽

Monte Carlo Calculations

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Quantum-critical properties of the long-range transverse-field Ising model from quantum Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.103.245135 ◽

2021 ◽

Vol 103 (24) ◽

Author(s):

Jan Alexander Koziol ◽

Anja Langheld ◽

Sebastian C. Kapfer ◽

Kai Phillip Schmidt

Keyword(s):

Monte Carlo ◽

Ising Model ◽

Monte Carlo Simulations ◽

Long Range ◽

Quantum Monte Carlo ◽

Transverse Field ◽

Critical Properties ◽

Quantum Critical ◽

Transverse Field Ising Model ◽

Quantum Monte Carlo Simulations

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