Spline Implementation of Generalized Gradient Approximations to the Exchange-Correlation Functional and Study of the Sensitivity of Density Functional Accuracy to Localized Domains of the Reduced Density Gradient
Peverati, Roberto, Truhlar, Donald G.Volume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct2006192
Date:
December, 2011
File:
PDF, 4.49 MB
english, 2011