14 citations · 14 across the 2 of their papers we have counts for
2 papers
cond-mat.other2008
Continuous corrections to the molecular Kohn-Sham gap and virtual orbitals
Hector Mera
We use projector operators to correct the Kohn-Sham Hamiltonian of density functional theory (KS-DFT) so that the resulting mean-field scheme yields, in finite systems, virtual orb…
cond-mat.mtrl-sci2005★ 14 cited
Current-constraining variational approaches to quantum transport
P. Bokes, H. Mera, R. W. Godby
Presently, the main methods for describing a non-equilibrium charge-transporting steady state are based on time-evolving it from the initial zero-current situation. An alternative…