D.W.M. Hofmann

A third blind test of crystal structure prediction

Graeme M. Day, W.D.S. Motherwell, Herman L. Ammon et al. · Acta Crystallographica Section B Structural Science · 2005 · 426 citations · Full text

Materials Science, Crystal Structure, Engineering +14

Kohn-Sham Self-Interaction Correction in Real Time

D.W.M. Hofmann, Thomas Körzdörfer, Stephan Kümmel · Physical Review Letters · 2012 · 62 citations

Charge Excitations, Engineering, Computational Chemistry +20

A Discrete Algorithm for Crystal Structure Prediction of Organic Molecules

D.W.M. Hofmann, Thomas Lengauer · Acta Crystallographica Section A Foundations of Crystallography · 1997 · 52 citations

Materials Science, Observed Crystal Structure, Crystal Structure +15

Using complex degrees of freedom in the Kohn-Sham self-interaction correction

D.W.M. Hofmann, Simon Klüpfel, P. Klüpfel et al. · Physical Review A · 2012 · 52 citations

Semilocal Density Functionals, Engineering, Physics +13

Self-interaction correction in a real-time Kohn-Sham scheme: Access to difficult excitations in time-dependent density functional theory

D.W.M. Hofmann, Stephan Kümmel · The Journal of Chemical Physics · 2012 · 45 citations

Quantum Dynamic, Engineering, Kohn-sham Sic Potential +19