scholarly journals Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions

2018 ◽  
Vol 149 (15) ◽  
pp. 151101 ◽  
Author(s):  
J. Emiliano Deustua ◽  
Ilias Magoulas ◽  
Jun Shen ◽  
Piotr Piecuch
Keyword(s):  
Cluster Analysis ◽  
Monte Carlo ◽  
Quantum Chemistry ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Wave Functions ◽  
Full Configuration Interaction ◽  
Exact Quantum

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
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