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Applications to Bent Triatomic Molecules

  • Debra J. Searles
  • Ellak I. von Nagy-Felsobuki
Part of the Lecture Notes in Chemistry book series (LNC, volume 61)

Abstract

For electron-sparse molecules, ab initio electronic PE surfaces of spectroscopic quality are readily available within the framework of the Born-Oppenheimer approximation [1–2]. For more electron-dense molecules (such as Li3 +) speculative configuration interaction PE surfaces have been constructed because of restrictions on computing capacity [3–4]. While the latter surfaces are primitive, they nevertheless serve experimentalists and theoreticians alike in the exploration of what constitutes a cost-effective, but spectroscopically predictive ab initio PE surface.

Keywords

Vibrational State Rotational Level Vibrational Ground State Triatomic Molecule Excited Vibrational State 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • Debra J. Searles
    • 1
  • Ellak I. von Nagy-Felsobuki
    • 2
  1. 1.Research School of ChemistryAustralian National UniversityCanberraAustralia
  2. 2.Department of ChemistryThe University of NewcastleCallaghanAustralia

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