We consider the problem of developing OΓ°NΓ 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
β¦ LIBER β¦
Rapid iterative method for electronic-structure eigenproblems using localised basis functions
β Scribed by M.J. Rayson; P.R. Briddon
- Book ID
- 108107468
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 177 KB
- Volume
- 178
- Category
- Article
- ISSN
- 0010-4655
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