The He2 potential at small distances

D. M. Ceperley, H. Partridge

Research output: Contribution to journalArticlepeer-review

Abstract

Quantum Monte Carlo methods have been used to determine the exact Born-Oppenheimer interaction energy of two helium atoms with internuclear separations between 0.5 and 1.8 Å. There is reasonable agreement with potentials derived from scattering data, however the semiempirical Aziz potential is too repulsive for separation less than 1.8 Å. We propose a new potential for this region.

Original languageEnglish (US)
Pages (from-to)820-821
Number of pages2
JournalThe Journal of Chemical Physics
Volume84
Issue number2
DOIs
StatePublished - 1986
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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