We present an analysis of local or semilocal density functionals for the Ε½ exchangeαcorrelation energy by decomposing them into their gradients r local Seitz s . Ε½ . Ε½ . radius , relative spin polarization , and s reduced density gradient . We explain the numerical method pertaining to this kind of
β¦ LIBER β¦
Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids
β Scribed by Dal Corso, Andrea; Pasquarello, Alfredo; Baldereschi, Alfonso; Car, Roberto
- Book ID
- 124102055
- Publisher
- The American Physical Society
- Year
- 1996
- Tongue
- English
- Weight
- 81 KB
- Volume
- 53
- Category
- Article
- ISSN
- 1098-0121
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