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A novel interpretation of Hund's rule for two-electron molecular systems

✍ Scribed by Shu-Bin Liu; Yu-Xin Yu


Book ID
113257242
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
545 KB
Volume
235
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


Numerical evaluation of two-electron int
✍ A. Henriet; C. Le Sech; F. Masnou-Seeuws πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 262 KB

In molecular systems such as alkali dimers the two-electron wavefunction can bc constructed using a limited number of configurations formed by products of two one-electron orbitals Q of the molecular ion. Starting from numerical values of the wavefunctions $ computed on a grid of points, we propose