scholarly journals Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo

2018 ◽  
Vol 14 (8) ◽  
pp. 4176-4182 ◽  
Author(s):  
Monika Dash ◽  
Saverio Moroni ◽  
Anthony Scemama ◽  
Claudia Filippi
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Geometry Optimization ◽  
Wave Functions

scholarly journals Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions

2016 ◽  
Vol 114 (7-8) ◽  
pp. 910-920 ◽  
Author(s):  
Emmanuel Giner ◽  
Roland Assaraf ◽  
Julien Toulouse
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Wave Functions

scholarly journals Tunneling in projective quantum Monte Carlo simulations with guiding wave functions

2019 ◽  
Vol 100 (21) ◽  
Author(s):  
T. Parolini ◽  
E. M. Inack ◽  
G. Giudici ◽  
S. Pilati
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Quantum Monte Carlo ◽  
Wave Functions ◽  
Quantum Monte Carlo Simulations

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
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