Calculations of nonnuclear, Hartree-Fock HSF and CHSF electron densities are reported for the first time. The positions of critical points in the conventional, HSF, and CHSF electron densities of the Li2 molecule (including the nonnuclear maximum) and corresponding values of the electron density are
β¦ LIBER β¦
Coupling between the convergence behavior of basis set and electron correlation: a quantitative study
β Scribed by Jan M. L. Martin
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 285 KB
- Volume
- 97
- Category
- Article
- ISSN
- 1432-2234
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