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
Algorithms for structuring design calculations
β Scribed by W. Fred Ramirez; Charles R. Vestal
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 843 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0009-2509
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A new algorithm has been developed for renormalized electron propagator methods that are appropriate for shakeup final states such as the algebraic diagrammatic construction in third order, the two-particle, one-hole TammαDancoff approximation and the nondiagonal, renormalized, second-order approxim