scholarly journals Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions

2015 ◽  
Vol 142 (4) ◽  
pp. 044115 ◽  
Author(s):  
Emmanuel Giner ◽  
Anthony Scemama ◽  
Michel Caffarel
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Configuration Interaction ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Diffusion Monte Carlo ◽  
Fixed Node

Quantum Monte Carlo with density matrix: potential energy curve derived properties

2017 ◽  
Vol 23 (4) ◽  
Author(s):  
Víctor S. Bonfim ◽  
Nádia M. Borges ◽  
João B. L. Martins ◽  
Ricardo Gargano ◽  
José Roberto dos S. Politi
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Density Matrix ◽  
Quantum Monte Carlo ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Matrix Potential ◽  
Derived Properties

scholarly journals Quantum Monte Carlo calculated potential energy curve for the helium dimer

2010 ◽  
Vol 132 (20) ◽  
pp. 204304 ◽  
Author(s):  
Xuebin Wu ◽  
Xianru Hu ◽  
Yunchuan Dai ◽  
Chenlei Du ◽  
Shibin Chu ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Potential Energy ◽  
Quantum Monte Carlo ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Calculated Potential Energy
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