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Multicenter molecular integrals for Slater orbitals of higher principal quantum numbersAs was shown earlier by Tai (1979), by using the Fourier-transform technique and properly coupling a pair of two-center exchange integrals, the multicenter molecular integrals can be cast into a simple expression upon which numerical procedures can be directly applied. In this paper, the procedure of Tai is extended to integrals involving orbitals with arbitrarily higher principal quantum number. The derivation is outlined, and the explicit expressions are presented for a three-center nuclear attraction integral and a four-center two-electron Coulomb repulsion integral of arbitrary higher states.
Document ID
19900030882
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Tai, H.
(NASA Langley Research Center Hampton, VA, United States)
Date Acquired
August 14, 2013
Publication Date
December 1, 1989
Publication Information
Publication: Physical Review A - General Physics, 3rd Series
Volume: 40
ISSN: 0556-2791
Subject Category
Atomic And Molecular Physics
Accession Number
90A17937
Distribution Limits
Public
Copyright
Other

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