Counterpoise corrected interaction energies are not systematically better than uncorrected ones: Comparison with CCSD(T) CBS extrapolated values

Theoretical Chemistry Accounts

Volumn 126, Issue 1, 2010, Pages 75-85

  Alvarez Idaboy, Juan Raul ^a   Galano, Annia ^b  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

Author keywords

Basis set superposition error (BSSE); Counterpoise correction; Reaction barriers; Weak interactions

Indexed keywords

EID: 77951497806     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0676-z     Document Type: Article

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