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Electronic-structure calculations for complex crystals

✍ Scribed by F. Herman; F. Casula


Book ID
112753563
Publisher
Italian Physical Society
Year
1983
Tongue
English
Weight
364 KB
Volume
2
Category
Article
ISSN
0392-6737

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Electronic structure calculations which are based on Wannier, like localized orbitals or the related density matrix, are an alternative to conventional calculations based on extended orbitals. For large systems this approach is potentially faster since it offers \(O(N)\) scaling with respect to the