scholarly journals Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

2014 ◽  
Vol 141 (24) ◽  
pp. 244117 ◽  
Author(s):  
Catherine Overy ◽  
George H. Booth ◽  
N. S. Blunt ◽  
James J. Shepherd ◽  
Deidre Cleland ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Electronic Properties ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Density Matrices ◽  
Reduced Density Matrices ◽  
Full Configuration Interaction ◽  
Reduced Density

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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