A critical analysis of the performance of new generation functionals on the calculation of the (hyper) polarizabilities of clusters of varying stoichiometry: Test case the SimGen (m + n = 7, n = 0-7) clusters

Chemical Physics Letters

Volumn 498, Issue 1-3, 2010, Pages 134-139

  Xenides, Demetrios ^a,b   Karamanis, Panaghiotis ^c   Pouchan, Claude ^c  

^a UNIVERSITY OF PELOPONNESE   (Greece)

^b UNIVERSITY OF INNSBRUCK   (Austria)

^c ECP   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DESIGN FOR TESTABILITY; INFORMATION THEORY;

CRITICAL ANALYSIS; ELECTRIC RESPONSE; FUNCTIONALS; LONG RANGES; MP2 AB INITIO METHODS; POLARIZABILITIES; RELATIVE PERFORMANCE; TEST CASE;

DENSITY FUNCTIONAL THEORY;

EID: 77957020811     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.08.050     Document Type: Article

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