We have implemented a linear scaling, fully self-consistent densityfunctional method for performing first-principles calculations on systems with a large number of atoms, using standard norm-conserving pseudopotentials and flexible linear Ε½ . combinations of atomic orbitals LCAO basis sets. Exchange
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On creating sets with large lower density
β Scribed by Neil Hindman
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 320 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0012-365X
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