Publicaciones en las que colabora con NICOLE HELBIG (21)

2020

  1. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

    Journal of Chemical Physics, Vol. 152, Núm. 12

2015

  1. Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?

    Journal of Chemical Physics, Vol. 143, Núm. 5

  2. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 47, pp. 31371-31396

2014

  1. 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

  2. Quasi-particle energy spectra in local reduced density matrix functional theory

    Journal of Chemical Physics, Vol. 141, Núm. 16

2011

  1. Density functional theory beyond the linear regime: Validating an adiabatic local density approximation

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 83, Núm. 3

  2. Fractional spin in reduced density-matrix functional theory

    Journal of Chemical Physics, Vol. 135, Núm. 5

  3. Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us

    Physical Review B - Condensed Matter and Materials Physics, Vol. 84, Núm. 7

  4. Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations

    Chemical Physics, Vol. 391, Núm. 1, pp. 1-10

2010

  1. Discontinuities of the chemical potential in reduced density matrix functional theory

    Zeitschrift fur Physikalische Chemie, Vol. 224, Núm. 3-4, pp. 467-480

  2. Physical meaning of the natural orbitals: Analysis of exactly solvable models

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 81, Núm. 2

  3. Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory

    Journal of Chemical Physics, Vol. 132, Núm. 8

2009

  1. 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

  2. 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

  3. Exact Kohn-Sham potential of strongly correlated finite systems

    Journal of Chemical Physics, Vol. 131, Núm. 22

2008

  1. Exchange-correlation orbital functionals in current-density functional theory: Application to a quantum dot in magnetic fields

    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, Núm. 24

2007

  1. Discontinuity of the chemical potential in reduced-density-matrix- functional theory

    EPL, Vol. 77, Núm. 6

  2. Exchange-energy functionals for finite two-dimensional systems

    Physical Review B - Condensed Matter and Materials Physics, Vol. 76, Núm. 23

  3. First-principles approach to noncollinear magnetism: Towards spin dynamics

    Physical Review Letters, Vol. 98, Núm. 19

  4. Performance of one-body reduced density-matrix functionals for the homogeneous electron gas

    Physical Review B - Condensed Matter and Materials Physics, Vol. 75, Núm. 19