A theoretical procedure for determining rovibrational eigenstates of van der Waals complexes is presented. In this procedure, the self-consistent field method is used to optimize the basis sets for bending and stretching motions in the van der Waals complex; then, the configuration-interaction metho
Computation of Rovibrational Eigenvalues of van der Waals Molecules on a CRAY T3D
β Scribed by Xudong T. Wu; Prakashan P. Korambath; Edward F. Hayes; Danny C. Sorensen
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 366 KB
- Volume
- 138
- Category
- Article
- ISSN
- 0021-9991
No coin nor oath required. For personal study only.
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