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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


Puni tekst: engleski pdf 3.663 Kb

str. 17-23

preuzimanja: 126

citiraj


Sažetak

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.

Ključne riječi

Hrčak ID:

196689

URI

https://hrcak.srce.hr/196689

Posjeta: 248 *