Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
90 (1989), S. 1003-1006
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A model Hamiltonian, designed to allow larger systems to be treated with the Green's function Monte Carlo method, is introduced for atomic and molecular systems. The model reduces the statistical variance associated with Green's function Monte Carlo calculations by reducing potential energy fluctuations in the core regions. By performing calculations of Li, LiH, and Li2 we show that this method can be used to obtain energy differences with much less computer time than required for the complete interaction. Increases in efficiency for larger systems will be even greater.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.456200
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