Effect of molecular dissociation on the exchange-correlation Kohn-Sham potential.
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Biomedical subjects
OV Gritsenko
Publications and source records attributed to OV Gritsenko.
Molecular Kohn-Sham exchange-correlation potential from the correlated ab initio electron density.
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Self-consistent local-density approximation with model Coulomb pair-correlation functions for electronic systems.
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Weighted-density exchange and local-density Coulomb correlation energy functionals for finite systems: Application to atoms.
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