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An approximation to off-diagonal reaction matrix elements

✍ Scribed by M.K. Srivastava


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
337 KB
Volume
144
Category
Article
ISSN
0375-9474

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πŸ“œ SIMILAR VOLUMES


Long-range behavior of the off-diagonal
✍ JΓ‘nos Pipek πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 470 KB

The behavior of the off-diagonal Fock matrix elements of Boys-localized Hartree-Fock orbitals is studied versus the spatial separation of the localized orbitals. A universal upper bound in terms of appropriately defined vicinity quantities was found, which shows that the largest Fock matrix elements