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Journal of Chemical Physics

Volumn 115, Issue 1, 2001, Pages 492-508

Theoretical calculation for the multiplet structure of the tetrahedrally coordinated Cr4+ in Y3Al5O12

(4) Ishii, Takugo a Ogasawara, Kazuyoshi a Adachi, Hirohiko a Tanaka, Isao a

a KYOTO UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; BAND STRUCTURE; CHROMIUM COMPOUNDS; COORDINATION REACTIONS; CRYSTAL ATOMIC STRUCTURE; DOPING (ADDITIVES); ELECTRON TRANSITIONS; GROUND STATE; INTEGRATION; KINETIC ENERGY; MOLECULAR STRUCTURE; POSITIVE IONS; WAVE EQUATIONS; YTTERBIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY (DFT); MULTIPLET STRUCTURES; WAVE FUNCTIONS;

ELECTRONIC STRUCTURE;

EID: 0035397469 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1377013 Document Type: Article

Times cited : (31)

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