Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions:  Worldwide Distributed Quantum Monte Carlo Calculations†

Martin Korth; Arne Lüchow; Stefan Grimme

doi:10.1021/jp077592t

Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions: Worldwide Distributed Quantum Monte Carlo Calculations†

The Journal of Physical Chemistry A ◽

10.1021/jp077592t ◽

2008 ◽

Vol 112 (10) ◽

pp. 2104-2109 ◽

Cited By ~ 40

Author(s):

Martin Korth ◽

Arne Lüchow ◽

Stefan Grimme

Keyword(s):

Exact Solution ◽

Monte Carlo ◽

Schrödinger Equation ◽

Molecular Interactions ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

Monte Carlo Calculations

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Solving the Schrödinger Equation Using Anharmonic Potentials and a Variational Quantum Monte Carlo Method

Revista Processos Químicos ◽

10.19142/rpq.v9i18.289 ◽

2015 ◽

Vol 9 (18) ◽

pp. 166-169

Author(s):

Maurício G. Rodrigues ◽

Régis C. Leal ◽

Rogério Custodio

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Schrödinger Equation ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

Quantum Monte Carlo Method

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Quantum Monte Carlo, Or, Solving the Many-Particle Schrödinger Equation Accurately While Retaining Favorable Scaling with System Size

Computational Methods for Large Systems ◽

10.1002/9780470930779.ch4 ◽

2011 ◽

pp. 117-166 ◽

Cited By ~ 2

Author(s):

Michael D. Towler

Keyword(s):

Monte Carlo ◽

Schrödinger Equation ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

System Size ◽

The Many

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Quantum Monte Carlo methods for the solution of the Schrödinger equation for molecular systems

Handbook of Numerical Analysis - Special Volume, Computational Chemistry ◽

10.1016/s1570-8659(03)10007-5 ◽

2003 ◽

pp. 485-535 ◽

Cited By ~ 9

Author(s):

Alán Aspuru-Guzik ◽

William A. Lester

Keyword(s):

Monte Carlo ◽

Schrödinger Equation ◽

Monte Carlo Methods ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

Molecular Systems ◽

Quantum Monte Carlo Methods

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DEVELOPMENT AND APPLICATIONS OF A QUANTUM MONTE CARLO METHOD TO SOLVE THE TIME INDEPENDENT SCHRÖDINGER EQUATION FOR SIMPLE SYSTEMS

10.19146/pibic-2016-50652 ◽

2016 ◽

Author(s):

GUILHERME DE SOUZA TAVARES DE MORAIS ◽

Rogério Custódio

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Schrödinger Equation ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

Quantum Monte Carlo Method ◽

Simple Systems

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DEVELOPMENT AND APPLICATIONS OF A QUANTUM MONTE CARLO METHOD TO SOLVE THE TIME INDEPENDENT SCHRÖDINGER EQUATION FOR SIMPLE SYSTEMS - PART II

10.19146/pibic-2017-77847 ◽

2017 ◽

Author(s):

GUILHERME DE SOUZA TAVARES DE MORAIS ◽

Rogério Custódio

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Schrödinger Equation ◽

Quantum Monte Carlo ◽

Schrodinger Equation ◽

Quantum Monte Carlo Method ◽

Simple Systems

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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 Monte Carlo calculations ofA=9,10nuclei

Physical Review C ◽

10.1103/physrevc.66.044310 ◽

2002 ◽

Vol 66 (4) ◽

Cited By ~ 289

Author(s):

Steven C. Pieper ◽

K. Varga ◽

R. B. Wiringa

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Monte Carlo Calculations

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Fixed-phase correlation-function quantum Monte Carlo calculations for ground and excited states of helium in neutron-star magnetic fields

Physical Review A ◽

10.1103/physreva.87.032515 ◽

2013 ◽

Vol 87 (3) ◽

Cited By ~ 9

Author(s):

Dirk Meyer ◽

Sebastian Boblest ◽

Günter Wunner

Keyword(s):

Monte Carlo ◽

Correlation Function ◽

Neutron Star ◽

Magnetic Fields ◽

Excited States ◽

Quantum Monte Carlo ◽

Phase Correlation ◽

Monte Carlo Calculations ◽

Fixed Phase

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Exact solution of perturbed nonlinear Schrödinger equation using ($$G^\prime /$$G, 1/G)-expansion method

Pramana ◽

10.1007/s12043-019-1875-3 ◽

2019 ◽

Vol 94 (1) ◽

Author(s):

Yanjie Wen ◽

Yongan Xie

Keyword(s):

Exact Solution ◽

Schrödinger Equation ◽

Nonlinear Schrödinger Equation ◽

Schrodinger Equation ◽

Expansion Method ◽

Nonlinear Schrodinger Equation ◽

Nonlinear Schrödinger

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Adding electron-nuclear cusps to Gaussian basis functions for molecular quantum Monte Carlo calculations

Physical Review B ◽

10.1103/physrevb.76.115115 ◽

2007 ◽

Vol 76 (11) ◽

Cited By ~ 7

Author(s):

Jörg Kussmann ◽

Christian Ochsenfeld

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Basis Functions ◽

Monte Carlo Calculations ◽

Gaussian Basis Functions

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