Non-Born-Oppenheimer corrections in an exactly solvable model of the hydrogen ion molecule

Ramiro Pino, Vladimiro Mujica

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

Abstract

We have obtained some exact solutions for a solvable model for the hydrogen molecular ion where the Coulomb interaction between the electron and the nuclei is replaced by a harmonic potential. We have also obtained the solutions to this model within the ordinary Born-Oppenheimer (BO) approximation for the electronic and nuclear degrees of freedom. The model shows some of the qualitative features of the real system and allows for a detailed study of non-adiabatic effects on the electronic structure through the calculation of the first-order corrections to the BO approximation, resulting from the nuclear kinetic energy and the vibronic coupling. The results are of interest in the context of non-adiabatic treatment of molecules and for the description of molecules in external magnetic fields.

Original languageEnglish
Pages (from-to)4537-4544
Number of pages8
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume31
Issue number20
DOIs
Publication statusPublished - Oct 28 1998

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physics and Astronomy(all)

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