scholarly journals A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets

2007 ◽  
Vol 126 (19) ◽  
pp. 194105 ◽  
Author(s):  
W. A. Al-Saidi ◽  
Henry Krakauer ◽  
Shiwei Zhang
Keyword(s):  
Monte Carlo ◽  
Plane Wave ◽  
Quantum Monte Carlo ◽  
Auxiliary Field ◽  
Basis Sets ◽  
Gaussian Basis Sets

scholarly journals Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer

2016 ◽  
Vol 144 (24) ◽  
pp. 244306 ◽  
Author(s):  
Wirawan Purwanto ◽  
Shiwei Zhang ◽  
Henry Krakauer
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Auxiliary Field ◽  
Monte Carlo Calculations
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