Original scientific paper

Ab initio Calculation of Magnetic Shielding and Susceptibility. I. Molecular Integrals over Gauge Invariant Gaussian Orbitals.

M. Žaucer ; Chemical Institute Boris Kidrič ·and Depar tment of Chemistry, University of LjubLjana, 61000 Ljubljana, Yugoslavia
A. Ažman ; Chemical Institute Boris Kidrič ·and Depar tment of Chemistry, University of LjubLjana, 61000 Ljubljana, Yugoslavia

Abstract

The analytical solutions· for the integrals needed in the SCF
computation of magnetic shielding and susceptibility with gauge
invariant Gaurssian atoiniC functions . are 'described. All the integrals
can be expressed in terms of known functions.

Keywords

Hrčak ID:

196689

URI

https://hrcak.srce.hr/196689

Publication date:

28.5.1975.

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