Semi-analytic evaluation of morse oscillator energies and wavefunctions in excited rotational states

Marc Duff, Herschel Rabitz

Research output: Contribution to journalArticle

29 Scopus citations

Abstract

A simple technique for generating accurate semi-analytic solutions for the one-dimensional Morse oscillator is presented. This modified Morse technique retains the simplicity and form of the j = 0 Morse solution but still satisfactorily includes the rotational features of the cases where j ≠ 0. The modified Morse solutions are compored to rigid rotor and exact numerical calculations performed by the finite element method. The technique is shown to give an accurate representation of the true wavefunction, and this result should make the method particularly useful for the generation of vibration-rotation transition matrix elements.

Original languageEnglish (US)
Pages (from-to)152-155
Number of pages4
JournalChemical Physics Letters
Volume53
Issue number1
DOIs
StatePublished - Jan 1 1978

All Science Journal Classification (ASJC) codes

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

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