Pseudopotential and valence exchange in the multiple scattering method

R. Gáspár, A. Nagy

Research output: Contribution to journalArticle

Abstract

Recently developed valence exchange potential and semiempirical pseudopotentials have been used in the Pseudo Potential Multiple Scattering Valence Exchange (PPMSVX) method to calculate the energy levels of the molecules CH4 and NH3. Results calculated by the new method presented here are in good agreement with the SCF MSXα values.

Original languageEnglish
Pages (from-to)45-49
Number of pages5
JournalActa Physica Hungarica
Volume55
Issue number1-4
DOIs
Publication statusPublished - Mar 1 1984

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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