activity
20052020
most citedReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

536 citations · 2.1k across the 27 of their papers we have counts for

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Showing cond-mat.str-elShow all

7 papers · 1 filter

cond-mat.str-el2019★ 1 cited

Friedel oscillations of one-dimensional correlated fermions from perturbation theory and density functional theory

Jovan Odavić, Nicole Helbig, Volker Meden

We study the asymptotic decay of the Friedel density oscillations induced by an open boundary in a one-dimensional chain of lattice fermions with a short-range two-particle interac…

cond-mat.str-el2011★ 82 cited

Density functional theory beyond the linear regime: Validating adiabatic LDA

N. Helbig, J. I. Fuks, M. Casula +4

We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for…

cond-mat.str-el2009★ 90 cited

Exact Kohn-Sham potential of strongly correlated finite systems

N. Helbig, I. V. Tokatly, A. Rubio

The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available funct…

cond-mat.str-el2008★ 34 cited

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

N. N. Lathiotakis, N. Helbig, A. Zacarias +1

An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas (N.N. Lathiotakis…

cond-mat.str-el2007★ 38 cited

Exchange-energy functionals for finite two-dimensional systems

S. Pittalis, E. Rasanen, N. Helbig +1

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761…

cond-mat.str-el2005★ 41 cited

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

N. Helbig, N. N. Lathiotakis, M. Albrecht +1

We present a novel method for calculating the fundamental gap. To this end, reduced-density-matrix-functional theory is generalized to fractional particle number. For each fixed pa…