scholarly journals Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition

2019 ◽  
Vol 15 (6) ◽  
pp. 3510-3521 ◽  
Author(s):  
Mario Motta ◽  
James Shee ◽  
Shiwei Zhang ◽  
Garnet Kin-Lic Chan
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Quantum Monte Carlo ◽  
Tensor Decomposition ◽  
Auxiliary Field ◽  
Low Rank ◽  
Monte Carlo Calculations ◽  
Rank Tensor

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

scholarly journals Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules

2010 ◽  
Vol 132 (3) ◽  
pp. 034111 ◽  
Author(s):  
Norbert Nemec ◽  
Michael D. Towler ◽  
R. J. Needs
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Small Molecules ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculations
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