Theoretical calculations for MUO3 (M = Na; K; Rb): DFT + U study

Journal of Organometallic Chemistry

Volumn 766, Issue , 2014, Pages 22-33

  Azam, Sikander ^a   Reshak, A H ^a,b  

^a UNIVERSITY OF WEST BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

Author keywords

Electronic charge density; Electronic structure

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES; RUBIDIUM;

DENSITY OF STATE; ELECTRONIC CHARGE DENSITY; ELECTRONIC CORRELATION; EXCHANGE-CORRELATION POTENTIAL; KOHN SHAM EQUATIONS; LINEAR OPTICAL PROPERTIES; THEORETICAL CALCULATIONS;

SODIUM;

EID: 84901814009     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2014.05.006     Document Type: Article

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