Stationary nucleus. Koopmans' theorem level calculations of the electron binding energies in excited state anions of several polar diatomic molecules have been performed. Binding energies as small as 5 × 10-8 eV (for the fifth) excited state of MgO-) were obtained. The results indicate that catastrophic breakdown of the Born-Oppenheimer approximation should be observable in the second excited state of LiF-.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry