Theoretical potential energy curves and spectroscopic properties of the X2Σu+ and A2Σg+ states of He2+

A. Khan, K. D. Jordan

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The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2+ and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

Original languageEnglish (US)
Pages (from-to)368-371
Number of pages4
JournalChemical Physics Letters
Issue number4
StatePublished - Aug 1 1986

All Science Journal Classification (ASJC) codes

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

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