Spin-orbit splittings in the third-row transition elements: Comparison of effective nuclear charge and full Breit-Pauli calculations

Journal of Physical Chemistry A

Volumn 105, Issue 35, 2001, Pages 8262-8268

  Koseki, Shiro ^a   Fedorov, Dmitri G ^b,c   Schmidt, Michael W ^b,d   Gordon, Mark S ^b  

^a MIE UNIVERSITY   (Japan)

^b IOWA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF TOKYO   (Japan)

^d TOKYO METROPOLITAN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; ENERGY GAP; GROUND STATE; STRUCTURAL OPTIMIZATION; TRANSITION METALS; WAVE EQUATIONS;

EFFECTIVE CORE POTENTIAL (ECP);

PHOTOCHEMICAL REACTIONS;

EID: 0035818136     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011677r     Document Type: Article

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