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GAUSSIAN expansions of anharmonic potentials for vibrational analyses

✍ Scribed by P.P. Schmidt

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
507 KB
Volume
159
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Generalized relativistic effective core
Generalized relativistic effective core potential: Gaussian expansions of potentials and pseudospinors for atoms Hg through Rn
✍ N. S. Mosyagin; A. V. Titov; Z. Latajka πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 187 KB

The Gaussian expansions of the generalized relativistic effective core ## Ε½ . potential GRECP components are reported for elements Hg through Rn. The accuracy of the analytical GRECPs is estimated by calculations of atomic transition energies with the numerical one-configurational wave functions