scholarly journals Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI

2017 ◽  
Vol 147 (9) ◽  
pp. 094306 ◽  
Author(s):  
Andrew D. Powell ◽  
Nikesh S. Dattani ◽  
Rene F. K. Spada ◽  
Francisco B. C. Machado ◽  
Hans Lischka ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Reaction Pathway ◽  
Ozone Formation ◽  
Diffusion Monte Carlo ◽  
Formation Reaction ◽  
Full Configuration Interaction ◽  
Fixed Node

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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