Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
100 (1994), S. 2052-2057
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A new model potential for van der Waals atomic pairs is proposed and shown to be in excellent agreement with ab initio calculations and experimental potentials. The model allows the potential energy of a given pair to be estimated with good accuracy from ab initio density functional calculations of the free-atom electron densities.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.466505
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