Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations

M. J. Gillan; D. Alfè; F. R. Manby

doi:10.1063/1.4926444

Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations

The Journal of Chemical Physics ◽

10.1063/1.4926444 ◽

2015 ◽

Vol 143 (10) ◽

pp. 102812 ◽

Cited By ~ 11

Author(s):

M. J. Gillan ◽

D. Alfè ◽

F. R. Manby

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Water Systems ◽

Second Order ◽

Moller Plesset

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Quantum Monte Carlo formulation of the second order algebraic diagramatic construction: towards a massively parallel correlated excited state method

The Journal of Chemical Physics ◽

10.1063/5.0071091 ◽

2022 ◽

Author(s):

Adem Halil Kulahlioglu ◽

Dirk Robert Rehn ◽

Andreas Dreuw

Keyword(s):

Monte Carlo ◽

Excited State ◽

Quantum Monte Carlo ◽

Second Order ◽

Massively Parallel ◽

Order Algebraic ◽

State Method

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Theoretical study of the aqueous solvation of HgCl2: Monte Carlo simulations using second-order Moller-Plesset-derived flexible polarizable interaction potentials

The Journal of Chemical Physics ◽

10.1063/1.3673780 ◽

2012 ◽

Vol 136 (1) ◽

pp. 014502 ◽

Cited By ~ 15

Author(s):

J. Hernández-Cobos ◽

A. Ramírez-Solís ◽

L. Maron ◽

I. Ortega-Blake

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Theoretical Study ◽

Second Order ◽

Interaction Potentials ◽

Aqueous Solvation ◽

Moller Plesset

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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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