![](/img/cover-not-exists.png)
Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac–Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium
Lipparini, Filippo, Kirsch, Till, Köhn, Andreas, Gauss, JürgenLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00110
Date:
June, 2017
File:
PDF, 536 KB
english, 2017