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Nuclear motions in molecules and related properties

  • Attilio Rigamonti
  • Pietro Carretta
Part of the UNITEXT book series (UNITEXT)

Abstract

In the framework of the Born-Oppenheimer separation (§ 7.1), once that the electronic state has been described and the eigenvalue Ee(R) and wavefunction φe(r,R) have been found, then the motions of the nuclei are described by a function φ ν (g) (R), where g represents the quantum numbers for the electrons and ν are the quantum numbers (to be found) for the nuclei. This wavefunction is solution of the Equation
$$ \{ - \sum\limits_\alpha {\frac{{\hbar ^2 }} {{2M_\alpha }}\nabla _\alpha ^2 + E_e (R)\} \phi _\nu ^{(g)} } (R) = E_{g,\nu } \phi _\nu ^{(g)} (R) $$
(10.1)
(note that Vnn in Eq. 7.3 and 7.5 has been included in Ee(R), see for example Eq. 8.1).

Keywords

Normal Mode Nuclear Spin Vibrational State Diatomic Molecule Rotational 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 Italia 2007

Authors and Affiliations

  • Attilio Rigamonti
    • 1
  • Pietro Carretta
    • 1
  1. 1.Dipartimento di Fisica “A Volta”Università degli Studi di PaviaPavia

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