Relationships between the third-order reactivity indicators in chemical density-functional theory

Journal of Chemical Physics

Volumn 130, Issue 24, 2009, Pages

  Cárdenas, Carlos ^a   Echegaray, Eleonora ^a,b   Chakraborty, Debajit ^a   Anderson, James S M ^a   Ayers, Paul W ^a  

^a MCMASTER UNIVERSITY   (Canada)

^b PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SYSTEMS; DESCRIPTOR; ELECTRON DENSITIES; EXTERNAL POTENTIAL; HYPER-POLARIZABILITY; QUADRATIC RESPONSE; REACTIVITY INDICATORS; THIRD-ORDER;

CHEMICAL REACTIVITY; INDICATORS (CHEMICAL); OPEN SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 67650459102     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3151599     Document Type: Article

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