An approach which enables consideration of the problem of determining the energy spectrum of molecules containing vibrations of large amplitude within the framework of the standard Nielsen theory without the use of the Hougen-Bunker-Johns model is presented. The use of the H2O molecule as an example has shown that such an approach allows the behavior of rotational and centrifugal constants of (0v0) states with the increasing quantum number v to be described not only qualitatively but also quantitatively.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics