105 citations · 341 across the 8 of their papers we have counts for
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Strong-field effects in the photo-emission spectrum of the C fullerene
Cong-Zhang Gao, Phuong Mai Dinh, Peter Kluepfel +3
Considering C as a model system for describing field emission from the extremity of a carbon nanotip, we explore electron emission from this fullerene excited by an intense,…
The effect of the Perdew-Zunger self-interaction correction to density functionals on the energetics of small molecules
Simon Klüpfel, Peter Klüpfel, Hannes Jónsson
Self-consistent calculations using the Perdew-Zunger self-interaction correction (PZ-SIC) to local density and gradient dependent energy functionals are presented for the binding e…
Importance of complex orbitals in calculating the self-interaction-corrected ground state of atoms
Simon Klüpfel, Peter Klüpfel, Hannes Jonsson
The ground state of atoms from H to Ar was calculated using a self-interaction correction to local and gradient dependent density functionals. The correction can significantly impr…
Koopmans' condition in self-interaction corrected density functional theory
Peter Klüpfel, Mai Phuong Dinh, Paul-Gerhard Reinhard +1
We investigate from a practitioner's point of view the computation of the ionization potential (IP) within density functional theory (DFT). DFT with (semi-)local energy-density fun…