New method on constructing analytic potential function of diatomic molecules

Changfeng Yu, Jing Wang

Research output: Contribution to journalArticlepeer-review

Abstract

A new method on constructing analytical potential energy functions is presented, and then a relatively universal analytical potential energy function for precisely calculating the spectra of diatomic molecules and ions is derived. Furthermore, six kinds of common potential energy curves containing three main potential curves i.e. steady state, metastable state and repulsive state are obtained from this potential energy function. Finally, spectroscopic parameters of thirteen diatomic molecules and ions including BeD-X 2+, BeT-X 2+ and Na2-X 1g + etc are calculated by using the potential function, as a consequence, all calculation results are in good agreement with experimental data.

Original languageEnglish
Pages (from-to)212-216
Number of pages5
JournalWuhan University Journal of Natural Sciences
Volume13
Issue number2
DOIs
StatePublished - Apr 2008
Externally publishedYes

Keywords

  • Diatomic molecules and ions
  • Force constants
  • Phase factor
  • Potential energy function
  • Spectroscopic parameters

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