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International Journal of Quantum Chemistry

Volumn 89, Issue 2, 2002, Pages 57-85

Solution of periodic Poisson's equation and the Hartree-Fock approach for solids with extended electron states: Application to linear augmented plane wave method

(2) Tian, Shan Xi a Xu, Ke Zun b

a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (China)

b TOHOKU UNIVERSITY (Japan)

Author keywords

Crystal field; Electron band structure calculations; Full potential; Hartree Fock Roothaan approach; Linear augmented plane wave method

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; CALCULATIONS; CARRIER CONCENTRATION; CRYSTALS; ELECTRIC FIELD EFFECTS; MOLECULAR DYNAMICS; POISSON DISTRIBUTION; PROBABILITY DENSITY FUNCTION;

HARTREE-FOCK APPROACH; LINEAR AUGMENTED PLANE WAVE METHOD; POISSON EQUATIONS;

QUANTUM THEORY;

EID: 0037025714 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10189 Document Type: Article

Times cited : (12)

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