First-principles analysis for the optical absorption spectra of metal ions in solids

International Journal of Quantum Chemistry

Volumn 99, Issue 4, 2004, Pages 488-494

  Ishii, Takugo ^a   Ogasawara, Kazuyoshi ^b   Adachi, Hirohiko ^c   Burmester, Philipp ^a   Huber, Günter ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b KWANSEI GAKUIN UNIVERSITY   (Japan)

^c KYOTO UNIVERSITY   (Japan)

Author keywords

Configuration interaction; Impurity metal center; Molecular orbital method; Multiplet structure; Relativistic calculation

Indexed keywords

CRYSTALS; ELECTRONIC STRUCTURE; ELECTRONS; EMISSION SPECTROSCOPY; HAMILTONIANS; LASERS; MATRIX ALGEBRA; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; RARE EARTH ELEMENTS; SOLIDS; X RAY ANALYSIS;

CONFIGURATION INTERACTION; IMPURITY METAL CENTER; MOLECULAR ORBITAL METHOD; MULTIPLET STRUCTURES; RELATIVISTIC CALCULATIONS;

LIGHT ABSORPTION;

EID: 4344627257     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10854     Document Type: Conference Paper

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