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Reduction of Hybrid Electron-repulsion Integrals to Overlap Integrals

M . Randić ; Department of Physics, University of Utah, Salt Lake City, Utah 84112
F. E. Harris ; Department of Physics, University of Utah, Salt Lake City, Utah 84112


Puni tekst: engleski pdf 2.531 Kb

str. 347-352

preuzimanja: 145

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Sažetak

It is shown how two-center electron-repulsion integrals of
hybrid type can be reduced to linear combinations of overlap
integrals. In certain cases the overlap integrals involve orbitals
whose principal quantum numbers are less than their azimuthal
quantum numbers. Explicit formulas are presented for the reduction
of all hybrid integrals containing only orbitals of principal
quantum numbers 1 or 2.

Ključne riječi

Hrčak ID:

195852

URI

https://hrcak.srce.hr/195852

Posjeta: 239 *