Scaling properties of inhomogeneity kinetic energy in some diatomic molecules, in relation to dissociation energies

Gregory J. Laming, Agnes Nagy, Nicholas C. Handy, Norman H. March

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Abstract

The ground-state density p(r) at equilibrium internuclear distances is utilized to calculate the inhomogeneity kinetic energy T2 = (h2/72 m) j (Vp)2/p dr for a number of diatomics. The scaling properties of T2 are exhibited, together with some brief comments on the relation of T2 to molecular dissociation.

Original languageEnglish
Pages (from-to)1497-1500
Number of pages4
JournalMolecular Physics
Volume81
Issue number6
DOIs
Publication statusPublished - Jan 1 1994

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ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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