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 ◽  
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Quantum Monte Carlo ◽  
Monte Carlo Study ◽  
Full Configuration Interaction

scholarly journals A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules

2021 ◽  
Vol 154 (16) ◽  
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Yilin Chen ◽  
Nikolay A. Bogdanov ◽  
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Configuration Interaction ◽  
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Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

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Vol 34 (8) ◽  
pp. 080201
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Tie-Kuang Dong ◽  
Shi-Ning Zhu
Keyword(s):  
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Configuration Interaction ◽  
Quantum Monte Carlo ◽  
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scholarly journals Improved walker population control for full configuration interaction quantum Monte Carlo

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Vol 153 (17) ◽  
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Elke Pahl ◽  
Joachim Brand
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Population Control ◽  
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 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):  
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Full Configuration Interaction

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):  
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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
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