NICOLE
HELBIG
Investigador/a en el periodo 2007-2011
National Hellenic Research Foundation
Athens, GreciaPublicaciones en colaboración con investigadoras/es de National Hellenic Research Foundation (8)
2015
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Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
Journal of Chemical Physics, Vol. 143, Núm. 5
2014
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Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 90, Núm. 3
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Quasi-particle energy spectra in local reduced density matrix functional theory
Journal of Chemical Physics, Vol. 141, Núm. 16
2011
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Fractional spin in reduced density-matrix functional theory
Journal of Chemical Physics, Vol. 135, Núm. 5
2010
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Discontinuities of the chemical potential in reduced density matrix functional theory
Zeitschrift fur Physikalische Chemie, Vol. 224, Núm. 3-4, pp. 467-480
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Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
Journal of Chemical Physics, Vol. 132, Núm. 8
2009
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A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems
Journal of Chemical Physics, Vol. 130, Núm. 6
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Discontinuity of the chemical potential in reduced-density-matrix- functional theory for open-shell systems
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 79, Núm. 2