Premium
Variational calculations of vibrational and vibration‐rotational properties of ozone
Author(s) -
Anmin Tian,
Ruifeng Liu,
Zemin Sun,
Xuefeng Zhou,
Guosen Yan
Publication year - 1989
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560360608
Subject(s) - polyatomic ion , vibration , molecule , rotational partition function , chemistry , atomic physics , rotational energy , molecular vibration , vibrational partition function , vibrational energy , computational chemistry , molecular physics , hot band , physics , rotational temperature , quantum mechanics , organic chemistry
Vibrational and vibration‐rotational energy levels of ozone and its isotopic substitutes have been calculated variationally by the ladder operator method. Thirty vibrational band origins and rotational energies of vibrational ground states for these molecules have been given. The good agreement between the calculated results and the observed values shows that the calculation method is a promising one for variational studies of vibrational and vibration‐rotational properties of nonlinear polyatomic molecules.