The rotation-vibration spectra of diatomic molecules are discussed with the aid of the SO ( 2.1) dynamic group. The eigenvector of the compact generator is explicitly obtained by realizing the generators in the four-dimensional polar coordinates. A special representation of the radial part of the ge
Extended Schrödinger approach to analytic calculation of rotation—vibration energy of diatomic molecules
✍ Scribed by Marcin Molski; Jerzy Konarski
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 535 KB
- Volume
- 196
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A new method leading to exact analytic solutions of the ro~tion-vibmtional Schrijdinger equation for diatomic molecules is proposed. The eigenvalues obtained are applied in the evaluation of molecular constants and reproduction of rovibrational spectra of '*CJ2S, HF, and the van der Waals molecule 40Ar2.
📜 SIMILAR VOLUMES
The results of some highly accurate non-empirical ro-vibrational calculations on H 2D~are reported including some for J 30 which are the first calculations to describe such a highly rotationally excited state. These results are obtained using an improved version of our algorithm. The method used is