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Computation of one and two electron spin-orbit integrals

✍ Scribed by Harry F. King; Thomas R. Furlani

Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
576 KB
Volume
9
Category
Article
ISSN
0192-8651

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✦ Synopsis

Methods for the computation of one-and two-electron spin-orbit integrals over Gaussian-type basis functions are presented. We show that existing nuclear-attraction and electron-repulsion integral codes can be readily adapted for the efficient evaluation of spin-orbit integrals; in particular, one can take advantage of recent advances in the computation of derivative integrals. Recurrence relations for the nuclear attraction integrals are also developed.

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