Email this article Variational Approach to the General Problem Of Vibrational-Rotational States of Molecules
- Authors: Gribov L.A.1
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Affiliations:
- Vernadsky Institute of Geochemistry and Analytical Chemistry Russian Academу of Sciences
- Issue: Vol 59, No 2 (2018)
- Pages: 272-275
- Section: Article
- URL: https://journal-vniispk.ru/0022-4766/article/view/161868
- DOI: https://doi.org/10.1134/S0022476618020038
- ID: 161868
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Abstract
A new method is proposed to calculate energy levels and wave functions of vibrational-rotational molecular states without the necessity to separate the types of motion. The procedure is described to find the corresponding energy matrix which is diagonalized to obtain the final solution. The simplicity of computing matrix elements makes it possible to analyze very large molecules.
About the authors
L. A. Gribov
Vernadsky Institute of Geochemistry and Analytical Chemistry Russian Academу of Sciences
Author for correspondence.
Email: l_gribov@mail.ru
Russian Federation, Moscow
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