Performance of Relativistic Density Functional and Ab Initio Pseudopotential Approaches for Systems with High-Spin Multiplicities: Gadolinium Diatomics GdX (X = H, N, O, F, P, S, Cl, Gd)

International Journal of Quantum Chemistry

Volumn 76, Issue 3, 2000, Pages 359-370

  Dolg, M ^a   Liu, W ^a,b   Kalvoda, S ^a  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

Configuration interaction; Density functional theory; Lanthanides; Pseudopotentials; Relativity

Indexed keywords

EID: 0000798227     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)76:3<359::AID-QUA5>3.0.CO;2-E     Document Type: Article

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