AB initio effective core potentials including relativistic effects. A procedure for the inclusion of spin-orbit coupling in molecular wavefunctions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference28 articles.
1. Relativistic effects on chemical properties
2. Relativistic Quantum Chemistry
3. Relativistic self‐consistent‐field (RSCF) theory for closed‐shell molecules
4. Relativistic self‐consistent‐field methods for molecules. I. Dirac–Fock multiconfiguration self‐consistent‐field theory for molecules and a single‐determinant Dirac–Fock self‐consistent‐field method for closed‐shell linear molecules
5. Relativistic self‐consistent‐field methods for molecules. II. A single‐determinant Dirac–Fock self‐consistent‐field method for closed‐shell polyatomic molecules
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