Exchange potential via functional differentiation of the Dirac idempotent density matrix
Author:
Publisher
American Physical Society (APS)
Subject
Atomic and Molecular Physics, and Optics
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.69.064101/fulltext
Reference16 articles.
1. Efficient localized Hartree–Fock methods as effective exact-exchange Kohn–Sham methods for molecules
2. Orbital structure of the Kohn-Sham exchange potential and exchange kernel and the field-counteracting potential for molecules in an electric field
3. Exchange potential from the common energy denominator approximation for the Kohn–Sham Green’s function: Application to (hyper)polarizabilities of molecular chains
4. Corrections to Slater exchange potential in terms of Dirac idempotent density matrix: With an approximate application to Be-like positive atomic ions for large atomic number
5. Nonrelativistic variationally optimized exchange potentials for Ne-like atomic ions having large atomic number
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1. Exchange energy density definitions from the optimized exchange-force, exemplified for non-relativistic Ne- and Ar-like atomic ions in the limit of large nuclear charge;Journal of Mathematical Chemistry;2010-10-06
2. The idempotent Dirac density matrix as a functional of the diagonal ground-state electron density obtained from diffraction experiments;International Journal of Quantum Chemistry;2007
3. Influence of the noninteracting density response function on the exchange-only kernel in time-dependent density-functional theory;Physical Review A;2006-10-06
4. Integral equation theory of the exchange potential, HOMO–LUMO properties, and sum rules for the exchange-correlation force;Molecular Physics;2005-05-10
5. Can the exchange-correlation potential of density functional theory be expressed solely in terms of HOMO and LUMO properties?;Chemical Physics Letters;2005-01
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