Effect of basis set superposition error on the water dimer surface calculated at Hartree - Fock, Møller - Plesset, and density functional theory levels

Journal of Physical Chemistry A

Volumn 103, Issue 11, 1999, Pages 1640-1643

  Simon, Sílvia ^a   Duran, Miquel ^a   Dannenberg, J J ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000913618     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9842188     Document Type: Article

References (40)

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40. Poor basis sets, like STO-3G, sometimes give CP's that are greater than the interaction energy (i.e., linear HF dimer).