scholarly journals GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method

AIP Advances ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 025225
Author(s):  
Yutaka Nikaido ◽  
Tom Ichibha ◽  
Kousuke Nakano ◽  
Kenta Hongo ◽  
Ryo Maezono
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Diffusion Monte Carlo ◽  
Diffusion Monte Carlo Method

ANALYSIS OF THE INTERATOMIC POTENTIAL OF THE HELIUM SYSTEMS

2006 ◽  
Vol 20 (19) ◽  
pp. 2682-2686
Author(s):  
SEBASTIAN UJEVIC ◽  
S. A. VITIELLO
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Equation Of State ◽  
Interatomic Potential ◽  
Great Accuracy ◽  
Interatomic Potentials ◽  
Diffusion Monte Carlo ◽  
Diffusion Monte Carlo Method

The effects of interatomic potentials in the equation of state of 4 He and other properties of the system are investigated. A multi-weight diffusion Monte Carlo method is applied in order to compute very small energies differences with great accuracy. From our analysis we identify the best current description for the helium systems.

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