Can gap tuning schemes of long-range corrected hybrid functionals improve the description of hyperpolarizabilities?

Journal of Physical Chemistry B

Volumn 119, Issue 3, 2015, Pages 1202-1212

  Garza, Alejandro J ^a   Osman, Osman I ^b   Asiri, Abdullah M ^b   Scuseria, Gustavo E ^a,b  

^a RICE UNIVERSITY   (United States)

^b KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY;

CHARGE-TRANSFER COMPOUNDS; HYBRID FUNCTIONALS; HYPER-POLARIZABILITY; HYPERPOLARIZABILITIES; INVERSE RELATIONS; PATHOLOGICAL CASE; PYRROLE DERIVATIVES; SEPARATION PARAMETERS;

CHARGE TRANSFER;

EID: 84921478859     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp507226v     Document Type: Article

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