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1992 | 82 | 6 | 927-936
Article title

Modified Kratzer-Fues Formula for Rotation-Vibration Energy of Diatomic Molecules

Content
Title variants
Languages of publication
EN
Abstracts
EN
An extension of the Kratzer-Fues approach to analytical calculation of the rotation-vibration energy of diatomic molecules is proposed. The eigen-values from this approach are applied in calculation of the rotational and rovibrational energies and in evaluation of molecular constants of selected diatomic molecules, resulting in satisfactory reproduction of experimental frequencies over a wide range of rotational states. In contrast to our previous proposition the rotational dependence of vibration energy is taken into account. An additional set of fitted parameters which include equilibrium distance and dissociation constant was also employed.
Keywords
EN
Publisher

Year
Volume
82
Issue
6
Pages
927-936
Physical description
Dates
published
1992-12
received
1992-05-07
(unknown)
1992-09-01
Contributors
author
  • Department of Theoretical Chemistry, Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland
author
  • Department of Theoretical Chemistry, Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland
References
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv82z601kz
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