Accuracy of Effective Core Potentials and Basis Sets for Density Functional Calculations, Including Relativistic Effects, As Illustrated by Calculations on Arsenic Compounds
Xu, Xuefei, Truhlar, Donald G.Volume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct200234r
Date:
September, 2011
File:
PDF, 1.08 MB
english, 2011