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)


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.


Vibrational State Rotational Level Vibrational Ground State Triatomic Molecule Excited Vibrational State 
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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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