ACS Symposium Series - Recent Progress in Quantum Monte Carlo
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15

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2

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Published By American Chemical Society

0841231796, 0841231788

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Quantum Monte Carlo Investigation of Two Catalytic Reaction Paths for Hydrogen Synthesis on Pt(111)

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch005 ◽

2016 ◽

pp. 77-88 ◽

Author(s):

Noureddine Absi ◽

Philip E. Hoggan

Keyword(s):

Monte Carlo ◽

Catalytic Reaction ◽

Quantum Monte Carlo ◽

Reaction Paths ◽

Monte Carlo Investigation ◽

Hydrogen Synthesis

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Preface

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.pr001 ◽

2016 ◽

pp. ix-ix

Author(s):

Shigenori Tanaka ◽

Pierre-Nicholas Roy ◽

Lubos Mitas

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The Effect of Molecular Vibrations on the Binding of a Positron to Polyatomic Molecules

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch004 ◽

2016 ◽

pp. 63-75

Author(s):

Yukiumi Kita ◽

Masanori Tachikawa

Keyword(s):

Polyatomic Molecules ◽

Molecular Vibrations

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Fixed-Node and Fixed-Phase Approximations and Their Relationship to Variable Spins in Quantum Monte Carlo

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch001 ◽

2016 ◽

pp. 1-13 ◽

Author(s):

Cody A. Melton ◽

Lubos Mitas

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Fixed Phase ◽

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Diffusion Monte Carlo Study of the Parallel Displaced Form of the Benzene Dimer

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch007 ◽

2016 ◽

pp. 107-117

Author(s):

Kevin Gasperich ◽

Kenneth D. Jordan

Keyword(s):

Monte Carlo ◽

Monte Carlo Study ◽

Diffusion Monte Carlo ◽

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Quantum Monte Carlo Calculations on the Anomeric Effect

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch006 ◽

2016 ◽

pp. 89-105

Author(s):

Christoph Schulte ◽

Arne Lüchow

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Anomeric Effect ◽

Monte Carlo Calculations

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Title, Copyright, Foreword

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.fw001 ◽

2016 ◽

pp. i-v

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Subject Index

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ix002 ◽

2016 ◽

pp. 171-173

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Estimating Ground State Entanglement Entropy Using Path Integral Molecular Dynamics

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch010 ◽

2016 ◽

pp. 145-154 ◽

Author(s):

Dmitri Iouchtchenko ◽

Pierre-Nicholas Roy

Keyword(s):

Molecular Dynamics ◽

Path Integral ◽

Ground State ◽

Entanglement Entropy

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Noncovalent Interactions by QMC: Speedup by One-Particle Basis-Set Size Reduction

ACS Symposium Series - Recent Progress in Quantum Monte Carlo ◽

10.1021/bk-2016-1234.ch008 ◽

2016 ◽

pp. 119-126

Author(s):

Matúš Dubecký

Keyword(s):

Noncovalent Interactions ◽

Size Reduction ◽

Basis Set ◽

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