scholarly journals Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo

2016 ◽  
Vol 144 (9) ◽  
pp. 094110 ◽  
Author(s):  
W. A. Vigor ◽  
J. S. Spencer ◽  
M. J. Bearpark ◽  
A. J. W. Thom
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Full Configuration Interaction

Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

2017 ◽  
Vol 34 (8) ◽  
pp. 080201
Author(s):  
Su-Jun Yun ◽  
Tie-Kuang Dong ◽  
Shi-Ning Zhu
Keyword(s):  
Monte Carlo ◽  
Hubbard Model ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Full Configuration Interaction

scholarly journals Improved walker population control for full configuration interaction quantum Monte Carlo

2020 ◽  
Vol 153 (17) ◽  
pp. 174103
Author(s):  
Mingrui Yang ◽  
Elke Pahl ◽  
Joachim Brand
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Population Control ◽  
Full Configuration Interaction

Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study

2012 ◽  
Vol 8 (11) ◽  
pp. 4138-4152 ◽  
Author(s):  
Deidre Cleland ◽  
George H. Booth ◽  
Catherine Overy ◽  
Ali Alavi
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Monte Carlo Study ◽  
Full Configuration Interaction

scholarly journals Benchmark study of Nagaoka ferromagnetism by spin-adapted full configuration interaction quantum Monte Carlo

2021 ◽  
Vol 104 (23) ◽  
Author(s):  
Sujun Yun ◽  
Werner Dobrautz ◽  
Hongjun Luo ◽  
Ali Alavi
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Full Configuration Interaction ◽  
Benchmark Study

scholarly journals Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte Carlo

2019 ◽  
Vol 15 (10) ◽  
pp. 5332-5342 ◽  
Author(s):  
Hayley R. Petras ◽  
Daniel S. Graham ◽  
Sai Kumar Ramadugu ◽  
Jason D. Goodpaster ◽  
James J. Shepherd
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Density Functional ◽  
Functional Theory ◽  
Full Configuration Interaction

scholarly journals Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo

2015 ◽  
Vol 143 (5) ◽  
pp. 054108 ◽  
Author(s):  
Robert E. Thomas ◽  
Daniel Opalka ◽  
Catherine Overy ◽  
Peter J. Knowles ◽  
Ali Alavi ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Molecular Properties ◽  
Nuclear Forces ◽  
Full Configuration Interaction
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