ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A procedure to estimate the basis set superposition error is proposed avoiding the overestimation of the counterpoise correction in the van der Waals interactions. Numerical calculations were carried out in the Ne ⋅⋅⋅ Ne complex at the SCF level.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.450658