Normal coordinates–finite elements calculation of 3D vibrational energy levels: Henon—Heiles and Eckart potentials, H molecule
✍ Scribed by J. R. Alvarez–collado
- Publisher
- John Wiley and Sons
- Year
- 1994
- Tongue
- English
- Weight
- 635 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
Theoretical and numerical results related to the calculation of multidimensional vibrational levels are presented. A description of the methodological details of a very general method (normal coordinates-finite elements, NC-FEM) is provided. Several representative three-dimensional (3D) systems (Henon-Heiles and Eckart potentials, and the H3+ molecule) are studied, and NC-FEM results are compared with those published by other authors. For the H3+, a vibrational Hamiltonian expressed in terms of the three internuclear distances is integrated. and the results obtained are compared with the experimental oKes 0 1994 by John Wiley & Sons, Inc.