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Electronic structure calculations of Si surfaces using non-orthogonal basis functions

โœ Scribed by Shuji Obata

Book ID
117627350
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
129 KB
Volume
14
Category
Article
ISSN
0927-0256

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We consider the problem of developing OรฐNรž 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