Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers—Implementation and Analysis of Functionals and Extrapolation Procedures
Peverati, Roberto, Macrina, Marina, Baldridge, Kim K.Volume:
6
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct100061f
Date:
July, 2010
File:
PDF, 3.24 MB
english, 2010