The extended Koopmans’ theorem: Vertical ionization potentials from natural orbital functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4709769
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2. A generalization of the hartree-fock one-particle potential
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4. Extension of Koopmans’ theorem. I. Derivation
5. 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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