Quantum Monte Carlo for the Electronic Structure of Atoms and Molecules

Annual Review of Physical Chemistry ◽

10.1146/annurev.pc.41.100190.001435 ◽

1990 ◽

Vol 41 (1) ◽

pp. 283-311 ◽

Author(s):

W A Lester ◽

B L Hammond

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Atoms And Molecules

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Quantum Monte Carlo with Pseudopotentials for Electronic Structure of Atoms and Molecules

Recent Advances in Quantum Monte Carlo Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819710_0007 ◽

1997 ◽

pp. 117-131 ◽

Author(s):

C. W. GREEF ◽

W. A. LESTER ◽

B. L. HAMMOND

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Atoms And Molecules

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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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Ab Initio Electronic Structure Calculations by Auxiliary-Field Quantum Monte Carlo

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_47 ◽

2020 ◽

pp. 123-149

Author(s):

Shiwei Zhang

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Ab Initio ◽

Quantum Monte Carlo ◽

Electronic Structure Calculations ◽

Auxiliary Field ◽

Structure Calculations ◽

Ab Initio Electronic Structure

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Variational Quantum Monte Carlo Approach to the Electronic Structure of NiO

Journal of the Physical Society of Japan ◽

10.1143/jpsj.64.4270 ◽

1995 ◽

Vol 64 (11) ◽

pp. 4270-4277 ◽

Author(s):

Shigenori Tanaka

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Monte Carlo Approach

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Quantum Monte Carlo for the Electronic Structure of Combustion Systems

Recent Advances in Quantum Monte Carlo Methods — Part II - Recent Advances in Computational Chemistry ◽

10.1142/9789812775696_0011 ◽

2002 ◽

pp. 159-182 ◽

Author(s):

William A. Lester ◽

Jeffrey C. Grossman

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Combustion Systems

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Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_9 ◽

2011 ◽

pp. 255-292

Author(s):

Dmitry Yu. Zubarev ◽

Brian M. Austin ◽

William A. Lester

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Structure Of Molecules

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Self-healing diffusion quantum Monte Carlo algorithms: Direct reduction of the fermion sign error in electronic structure calculations

Physical Review B ◽

10.1103/physrevb.79.195117 ◽

2009 ◽

Vol 79 (19) ◽

Author(s):

F. A. Reboredo ◽

R. Q. Hood ◽

P. R. C. Kent

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Direct Reduction ◽

Electronic Structure Calculations ◽

Self Healing ◽

Monte Carlo Algorithms ◽

Structure Calculations

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Quantum Monte Carlo for Electronic Structure of Solids

Fundamental Materials Research - Electronic Properties of Solids Using Cluster Methods ◽

10.1007/0-306-47063-2_9 ◽

2006 ◽

pp. 131-141

Author(s):

Luboš Mitáš

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo

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Electronic Structure of Nanoclusters by Quantum Monte Carlo Methods

Journal of Cluster Science ◽

10.1007/s10876-020-01841-4 ◽

2020 ◽

Author(s):

L. Cândido ◽

B. G. A. Brito ◽

J. N. Teixeira Rabelo ◽

G.-Q. Hai

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Monte Carlo Methods ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Methods

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A quantum Monte Carlo and density functional theory study of the electronic structure of peroxynitrite anion

The Journal of Chemical Physics ◽

10.1063/1.1544732 ◽

2003 ◽

Vol 118 (11) ◽

pp. 4987-4992 ◽

Author(s):

J. A. W. Harkless ◽

J. H. Rodriguez ◽

L. Mitas ◽

W. A. Lester

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Peroxynitrite Anion

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