Relativistic Small-Core Pseudopotentials for Actinium, Thorium, and Protactinium
Author:
Affiliation:
1. Institute for Theoretical Chemistry, University of Cologne, Greinstrasse 4, 50939 Cologne, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp500215z
Reference55 articles.
1. The electronic structure of actinide-containing molecules: a challenge to applied quantum chemistry
2. Multiconfiguration Dirac−Hartree−Fock Adjusted Energy-Consistent Pseudopotential for Uranium: Spin−Orbit Configuration Interaction and Fock-Space Coupled-Cluster Study of U4+ and U5+
3. Accurate Relativistic Small-Core Pseudopotentials for Actinides. Energy Adjustment for Uranium and First Applications to Uranium Hydride
4. A Fock space coupled cluster study on the electronic structure of the UO2, UO2+, U4+, and U5+ species
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