Molecule intrinsic minimal basis sets. II. Bonding analyses for Si 4H 6 and Si 2 to Si 10

Journal of Chemical Physics

Volumn 120, Issue 6, 2004, Pages 2638-2651

  Lu, W C ^a   Wang, C Z ^a   Schmidt, M W ^a   Bytautas, L ^a,b   Ho, K M ^a   Ruedenberg, K ^a  

^a IOWA STATE UNIVERSITY   (United States)

^b VILNIUS UNIVERSITY   (Lithuania)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC ORBITALS; DENSITY FUNCTIONAL THEORY (DFT); MOLECULAR ORBITALS (MO);

ATOMIC PHYSICS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; ISOMERIZATION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SET THEORY; SILICON COMPOUNDS;

MOLECULAR PHYSICS;

EID: 1542636994     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1638732     Document Type: Article

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