Two virial theorems for coulombic potentials

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2 Scopus citations

Abstract

The Euler and the hypervirial theorems are used to derive several relations between exact matrix elements of the coulombic potential in atoms and molecules. A close connection between the coulombic potential and the harmonic oscillator potential is found. The repulsion interaction is shown to be separable into products of monoelectronic operators, if the wavefunctions are exact. The results further argue in favour argue in favour of the non-crossing rule, and yield a new formula for electronic dipole transitions.

Original languageEnglish
Pages (from-to)309-314
Number of pages6
JournalChemical Physics Letters
Volume43
Issue number2
DOIs
StatePublished - 15 Oct 1976
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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