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Journal of Chemical Physics

Volumn 115, Issue 13, 2001, Pages 5791-5795

Reconstruction of frozen-core all-electron orbitals from pseudo-orbitals

(4) Hetenyi B a De Angelis, F a Giannozzi, P a Car, R a

a PRINCETON UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; CARRIER CONCENTRATION; ELECTRONIC STRUCTURE; GOLD; HAMILTONIANS; MATHEMATICAL MODELS; MOLECULES; NEON; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; TITANIUM OXIDES;

BLOCH FORMALISM; FROZEN CORE ALL ELECTRON ORBITALS; PSEUDO ORBITALS; VALENCE STATES;

ELECTRON ENERGY LEVELS;

EID: 0035475756 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1398097 Document Type: Article

Times cited : (32)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.