English

Analytic description of inversion vibrational mode for ammonia molecule

Chemical Physics 2017-10-23 v3 Mesoscale and Nanoscale Physics

Abstract

The one-dimensional Schr\"odinger equation with symmetric trigonometric double-well potential is exactly solved via angular prolate spheroidal function. Although it is inferior compared with multidimensional counterparts and its limitations are obvious nevertheless its solution is shown to be analytic rather than commonly used numerical or approximate semiclassical (WKB) one. This comprises the novelty and the merit of the present work. Our exact analytic description of the ground state splitting can well be a referee point for comparison of the accuracy of numerous WKB formulas suggested in the literature. The approach reasonably well suits for the inversion mode in the ammonia molecule NH3NH_3 and thus yields a new theoretical tool for its description. The results obtained provide good quantitative description of relevant experimental data on microwave and IR spectroscopy of NH3NH_3.

Keywords

Cite

@article{arxiv.1707.08432,
  title  = {Analytic description of inversion vibrational mode for ammonia molecule},
  author = {A. E. Sitnitsky},
  journal= {arXiv preprint arXiv:1707.08432},
  year   = {2017}
}

Comments

16 pages, 2 figures, Final version, misprint in Appendix 1 has been corrected

R2 v1 2026-06-22T20:58:01.690Z