scholarly journals Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes

2018 ◽  
Vol 122 (29) ◽  
pp. 16683-16691 ◽  
Author(s):  
Anouar Benali ◽  
Ye Luo ◽  
Hyeondeok Shin ◽  
Dale Pahls ◽  
Olle Heinonen
Keyword(s):  
Monte Carlo ◽  
Transition Metal ◽  
Quantum Monte Carlo ◽  
Energy Barriers ◽  
Monte Carlo Calculations

Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom

2005 ◽  
Vol 123 (9) ◽  
pp. 094102 ◽  
Author(s):  
Michel Caffarel ◽  
Jean-Pierre Daudey ◽  
Jean-Louis Heully ◽  
Alejandro Ramírez-Solís
Keyword(s):  
Monte Carlo ◽  
Transition Metal ◽  
Copper Atom ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculations ◽  
Electron Quantum

Quantum Monte Carlo calculations ofA=9,10nuclei

2002 ◽  
Vol 66 (4) ◽  
Author(s):  
Steven C. Pieper ◽  
K. Varga ◽  
R. B. Wiringa
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculations

scholarly journals Quantum Monte Carlo calculations of neutron matter

2003 ◽  
Vol 68 (2) ◽  
Author(s):  
J. Carlson ◽  
J. Morales ◽  
V. R. Pandharipande ◽  
D. G. Ravenhall
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Neutron Matter ◽  
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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