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Numerically Integrable Confined Basis Functions for Band Structure Calculations

✍ Scribed by V. M. Tapilin

Book ID
111594588
Publisher
SP MAIK Nauka/Interperiodica
Year
2003
Tongue
English
Weight
105 KB
Volume
44
Category
Article
ISSN
0022-4766

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✍ V. Havu; V. Blum; P. Havu; M. Scheffler πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 605 KB

We consider the problem of developing OðNÞ scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atomcentered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creatio