Communication: An efficient analytic gradient theory for approximate spin projection methods
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4795429
Reference35 articles.
1. Spin-unrestricted character of Kohn-Sham orbitals for open-shell systems
2. Density-Functional Theory of Spin Polarization and Spin Coupling in Iron—Sulfur Clusters
3. Density functional methods applied to metalloenzymes
4. Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods
5. Spin polarization and annihilation for radicals and diradicals
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