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Density fitting for derivatives of Coulomb integrals in ab initio calculations using mixed Gaussian and plane-wave basis
- 1.0323087 - ÚFCH JH 2009 RIV US eng J - Journal Article
Čársky, Petr
Density fitting for derivatives of Coulomb integrals in ab initio calculations using mixed Gaussian and plane-wave basis.
[Derivace Coulombických integrálů metodou „denstity fitting“ v ab initio výpočtech při použití smíšených bazí gaussiánů a planárních vln.]
International Journal of Quantum Chemistry. Roč. 109, č. 620 (2009), s. 1237-1242. ISSN 0020-7608. E-ISSN 1097-461X
R&D Projects: GA ČR GA203/07/0070; GA ČR GA202/08/0631; GA AV ČR 1ET400400413; GA AV ČR IAA100400501
Institutional research plan: CEZ:AV0Z40400503
Keywords : Derivatives of Coulomb integrals * mixed Gaussian and plane-wave basis sets * electron scattering * computer time saving
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.315, year: 2009
Permanent Link: http://hdl.handle.net/11104/0171150
Number of the records: 1