Generalized Hellmann–Feynman theorem in the Xα method

R. Gáspár, A. Nagy

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

In the Xα method a generalized Hellmann–Feynman theorem has been derived, and its most important applications are presented. A formula for electronegativity using the definition of electronegativity given by Iczkowski and Margrave and the magnetic nuclear shielding factor and its relation to the electronegativity have been obtained. The virial theorem of the Xα method has also been derived with the aid of the Hellmann–Feynman theorem.

Original languageEnglish
Pages (from-to)639-647
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume31
Issue number4
DOIs
Publication statusPublished - 1987

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Generalized Hellmann–Feynman theorem in the Xα method'. Together they form a unique fingerprint.

  • Cite this