The linear response kernel of conceptual DFT as a measure of electron delocalisation

Chemical Physics Letters

Volumn 498, Issue 1-3, 2010, Pages 192-197

  Sablon, Nick ^a   De Proft, Frank ^a   Geerlings, Paul ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVES; CONCEPTUAL DENSITY FUNCTIONAL THEORY; DELOCALISATION; HYPERCONJUGATION EFFECTS; INTERNUCLEAR DISTANCES; LINEAR RESPONSE; LINEAR RESPONSE KERNEL; SECOND ORDER PERTURBATION THEORY;

BENZENE; DIELECTRIC MATERIALS; PERTURBATION TECHNIQUES;

DENSITY FUNCTIONAL THEORY;

EID: 77957018919     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.08.031     Document Type: Article

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