Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li–Xe
Schoendorff, George, West, Aaron C., Schmidt, Michael W., Ruedenberg, Klaus, Wilson, Angela K., Gordon, Mark S.Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.7b01916
Date:
April, 2017
File:
PDF, 2.17 MB
english, 2017