Optical properties of host material for phosphor computational modeling

International Journal of Quantum Chemistry

Volumn 112, Issue 24, 2012, Pages 3889-3895

  Yao, Ge ^a   Berry, Mary T ^a   Stanley May, P ^a   Kilin, Dmitri S ^a  

^a University of South Dakota   (United States)

Author keywords

absorption spectrum; DFT; lanthanide ions; radiative lifetime; sodium yttrium fluoride

Indexed keywords

AB INITIO COMPUTATIONS; ASYMPTOTIC CONVERGENCE; ATOMIC SIZES; CATION DISORDER; COMPUTATIONAL MODELING; DFT; GENERALIZED GRADIENT APPROXIMATIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOST MATERIALS; INTER-ATOMIC DISTANCES; LANTHANIDE ION; LOWEST UNOCCUPIED MOLECULAR ORBITAL; PERIODIC BOUNDARY CONDITIONS; RADIATIVE LIFETIME; SIMULATED RESULTS; SODIUM-YTTRIUM FLUORIDE;

ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; CALCULATIONS; DENSITY FUNCTIONAL THEORY; OPTICAL PROPERTIES; RARE EARTH ELEMENTS; YTTRIUM;

FLUORINE;

EID: 84869085032     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24292     Document Type: Conference Paper

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