Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
91 (1989), S. 4204-4212
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A method for the calculation of many-center integrals involving Slater-type orbitals (STOs) is reported. The method is based on the separation of the short- and long-range terms of the potentials generated by charge distributions. The calculation of three-center nuclear attraction integrals and many-center electron repulsion integrals, when the short-range contributions are negligible, is formulated in terms of multipolar moments of charge distributions. Recurrence relations for obtaining the multipolar moments, which enable us to reduce their calculations to the evaluation of some basic integrals, are reported.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.456799
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