scholarly journals Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis sets

2020 ◽  
Vol 153 (19) ◽  
pp. 194111
Author(s):  
Miguel A. Morales ◽  
Fionn D. Malone
Keyword(s):  
Monte Carlo ◽  
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
Sign in / Sign up

Export Citation Format

Share Document