First Principles Treatment of Configuration Optimizations, Excited-State Properties, and Dynamic Third-Order Polarizabilities of Chloro-Metal Phthalocyanines MPcCI (M = Al, Ga, In)

Journal of Physical Chemistry A

Volumn 108, Issue 10, 2004, Pages 1837-1843

  Wu, D S ^a   Cheng, W D ^a   Li, X D ^a   Lan, Y Z ^a   Chen, D G ^a   Zhang, Y C ^a   Zhang, H ^a   Gong, Y J ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; CRYSTAL STRUCTURE; ELECTRIC FIELD EFFECTS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; HAMILTONIANS; LIGHT ABSORPTION; LIGHT POLARIZATION; NONLINEAR OPTICS; PROBABILITY DENSITY FUNCTION; SECOND HARMONIC GENERATION; SINGLE CRYSTALS;

ELECTRON-ELECTRON INTERATIONS (EEI); OPTICAL SUSEPTIBILITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

NITROGEN COMPOUNDS;

EID: 1842426899     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0365211     Document Type: Article

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