List of works - Nicole Helbig

A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems.

scientific article

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory. ⬇️

scientific article

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

Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory

article by N. N. Lathiotakis et al published April 2010 in Zeitschrift fuer Physikalische Chemie

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

article by Nicole Helbig et al published March 2007 in Europhysics Letters

Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems

article

Exact Kohn-Sham potential of strongly correlated finite systems

scientific article published in December 2009

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

scholarly article in Physical Review B, vol. 77 no. 24, June 2008

Exchange-energy functionals for finite two-dimensional systems

scholarly article in Physical Review B, vol. 76 no. 23, December 2007

Fractional spin in reduced density-matrix functional theory.

scientific article published in August 2011

Generalized Pauli constraints in reduced density matrix functional theory ⬇️

scientific article

Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations ⬇️

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

scholarly article in Physical Review B, vol. 84 no. 7, August 2011

Open shells in reduced-density-matrix-functional theory

Optimized effective potential method in current-spin-density-functional theory

article

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

scientific article published on August 2015

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

article by N. N. Lathiotakis et al published 21 May 2007 in Physical Review B

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

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

scientific article published in October 2014

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

scientific article

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

scientific article published in February 2010

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

scientific article published in March 2018

TB2J: A python package for computing magnetic interaction parameters

scientific article published in 2021

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

article

List of works by Nicole Helbig

A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems.

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory. ⬇️

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

Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory

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

Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems

Exact Kohn-Sham potential of strongly correlated finite systems

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

Exchange-energy functionals for finite two-dimensional systems

Fractional spin in reduced density-matrix functional theory.

Generalized Pauli constraints in reduced density matrix functional theory ⬇️

Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations ⬇️

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

Open shells in reduced-density-matrix-functional theory

Optimized effective potential method in current-spin-density-functional theory

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

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

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

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

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

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

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

TB2J: A python package for computing magnetic interaction parameters

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