Ground-state properties of MH, MCl, and M2 (M = Cu, Ag, and Au) calculated by a scalar relativistic density functional theory

International Journal of Quantum Chemistry

Volumn 75, Issue 4-5, 1999, Pages 757-766

  Suzumura, Toshihisa ^a   Nakajima, Takahito ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

BOP; Heavy element systems; Molecular properties; Relativistic effects; RESC

Indexed keywords

EID: 0041434573     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1999)75:4/5<757::AID-QUA42>3.0.CO;2-R     Document Type: Article

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