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Variationally optimized atomic orbitals for large-scale electronic structures

✍ Scribed by Ozaki, T.


Book ID
111694027
Publisher
The American Physical Society
Year
2003
Tongue
English
Weight
74 KB
Volume
67
Category
Article
ISSN
1098-0121

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We describe the development and applications of a new electronic structure method that uses a real-space grid as a basis. Multigrid techniques provide preconditioning and convergence acceleration at all length scales and therefore lead to Ε½ . particularly efficient algorithms. The salient points of