ACS Symposium Series - Advances in Quantum Monte Carlo
Latest Publications

TOTAL DOCUMENTS

21

(FIVE YEARS 0)

H-INDEX

3

(FIVE YEARS 0)

Published By American Chemical Society

0841227500, 0841227519

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Correlated Sampling for Energy Differences in Diffusion Quantum Monte Carlo

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch001 ◽

2012 ◽

pp. 3-11

Author(s):

James B. Anderson

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Correlated Sampling

Download Full-text

Beyond a Single Solvated Electron: Hybrid Quantum Monte Carlo and Molecular Mechanics Approach

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch016 ◽

2012 ◽

pp. 201-206

Author(s):

D. Yu. Zubarev ◽

W. A. Lester

Keyword(s):

Monte Carlo ◽

Molecular Mechanics ◽

Quantum Monte Carlo ◽

Solvated Electron

Download Full-text

Population Control Bias with Applications to Parallel Diffusion Monte Carlo

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch002 ◽

2012 ◽

pp. 13-26 ◽

Author(s):

Jaron T. Krogel ◽

David M. Ceperley

Keyword(s):

Monte Carlo ◽

Population Control ◽

Diffusion Monte Carlo ◽

Parallel Diffusion

Download Full-text

High-Energy Electron Scattering from Selected Diatomics Using Monte Carlo Methods

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch011 ◽

2012 ◽

pp. 131-144

Author(s):

S. A. Alexander ◽

Sumita Datta ◽

R. L. Coldwell

Keyword(s):

Monte Carlo ◽

Electron Scattering ◽

Monte Carlo Methods ◽

High Energy ◽

Energy Electron ◽

High Energy Electron

Download Full-text

Editors' Biographies

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ot001 ◽

2012 ◽

pp. 221-221

Download Full-text

Many-Body Nodal Hypersurface and Domain Averages for Correlated Wave Functions

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch007 ◽

2012 ◽

pp. 77-87 ◽

Author(s):

Shuming Hu ◽

Kevin Rasch ◽

Lubos Mitas

Keyword(s):

Wave Functions ◽

Download Full-text

A Benchmark Quantum Monte Carlo Study of Molecular Crystal Polymorphism: A Challenging Case for Density-Functional Theory

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch009 ◽

2012 ◽

pp. 101-117 ◽

Author(s):

Mark A. Watson ◽

Kenta Hongo ◽

Toshiaki Iitaka ◽

Alán Aspuru-Guzik

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Quantum Monte Carlo ◽

Molecular Crystal ◽

Density Functional ◽

Monte Carlo Study ◽

Functional Theory ◽

Crystal Polymorphism

Download Full-text

Enhancement of Sampling Efficiency inab InitioMonte Carlo Simulations Using an Auxiliary Potential Energy Surface

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch003 ◽

2012 ◽

pp. 27-40

Author(s):

Akira Nakayama ◽

Tetsuya Taketsugu

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Sampling Efficiency

Download Full-text

Single Electron Densities from Quantum Monte Carlo Simulations

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch006 ◽

2012 ◽

pp. 65-75 ◽

Author(s):

Arne Lüchow ◽

René Petz

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Single Electron ◽

Electron Densities ◽

Quantum Monte Carlo Simulations

Download Full-text

Quantum Monte Carlo Facing the Hartree-Fock Symmetry Dilemma: The Case of Hydrogen Rings

ACS Symposium Series - Advances in Quantum Monte Carlo ◽

10.1021/bk-2012-1094.ch005 ◽

2012 ◽

pp. 53-63 ◽

Author(s):

Peter Reinhardt ◽

Julien Toulouse ◽

Roland Assaraf ◽

C. J. Umrigar ◽

Philip E. Hoggan

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Download Full-text