Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond

Journal of Computational Chemistry

Volumn 30, Issue 1, 2009, Pages 119-131

  Zyubin, A S ^a   Mebel, A M ^b   Hayashi, M ^c   Chang, H C ^d   Lin, S H ^e  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

^b FLORIDA INTERNATIONAL UNIVERSITY   (United States)

^c NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^d INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^e NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

Ab initio calculations; Diamond; Excited electronic states; Photoabsorption

Indexed keywords

AB INITIO CALCULATIONS; ABSORPTION BANDS; C ATOMS; CARBON ATOMS; DIAMOND; ENERGY RANGES; EXCITATION PROBABILITIES; EXCITED ELECTRONIC STATES; FINITE MODELS; NEUTRAL SYSTEMS; PHOTOABSORPTION; QUANTUM CHEMICAL (QC) CALCULATIONS; QUANTUM CHEMICAL MODELING; TRANSITION ENERGIES; TRIPLET STATES; UNPAIRED ELECTRONS; VERTICAL TRANSITIONS;

ATOMIC PHYSICS; ATOMS; CHEMICAL PROPERTIES; DEFECTS; DIAMONDS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; EXCITED STATES; NITROGEN; POINT DEFECTS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RADIATION; VACANCIES;

ELECTRIC EXCITATION;

EID: 58549097925     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21042     Document Type: Article

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