Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules

2007 ◽  
Vol 75 (24) ◽  
Author(s):  
Malliga Suewattana ◽  
Wirawan Purwanto ◽  
Shiwei Zhang ◽  
Henry Krakauer ◽  
Eric J. Walter
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Plane Waves ◽  
Auxiliary Field ◽  
Atoms And Molecules ◽  
Monte Carlo Calculations

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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