Introducing screening in one-body density matrix functionals: Impact on charged excitations of model systems via the extended Koopmans' theorem
Author:
Funder
Agence Nationale de la Recherche
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.105.235123/fulltext
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1. Calculation of ionization potentials from density matrices and natural functions, and the long-range behavior of natural orbitals and electron density
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3. Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon
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5. Ionization potentials from the extended Koopmans’ theorem applied to density matrix functional theory
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