Open-shell localized Hartree–Fock approach for an efficient effective exact-exchange Kohn–Sham treatment of open-shell atoms and molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1560132
Reference49 articles.
1. On the calculation of multiplet energies by the hartree-fock-slater method
2. Local-density theory of multiplet structure
3. Symmetry and Degeneracy in Xα and Density Functional Theory
4. Symmetry and spin density functional theory
5. Symmetry in density-functional theory
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