Towards a parameter-free characterization of charge transfer via hopping: The case of tris(8-Hydroxyquinolato) aluminum
- Salomon R. Billeter
- Alessandro Curioni
- et al.
- 2007
- Physical Review Letters
Paper
Publications
8 results for Salomon R. Billeter
Calculation of nonadiabatic couplings with restricted open-shell Kohn-Sham density-functional theory
- Salomon R. Billeter
- Daniel Egli
- 2006
- Journal of Chemical Physics
PaperAb initio derived augmented Tersoff potential for silicon oxynitride compounds and their interfaces with silicon
- Salomon R. Billeter
- Alessandro Curioni
- et al.
- 2006
- Physical Review B - CMMP
PaperThe structure of the SiO2/Si(100) interface from a restraint-free search using computer simulations
- Dominik Fischer
- Alessandro Curioni
- et al.
- 2006
- Applied Physics Letters
PaperCalculation of nonadiabatic couplings in density-functional theory
- Salomon R. Billeter
- Alessandro Curioni
- 2004
- Journal of Chemical Physics
PaperEffects of nitridation on the characteristics of silicon dioxide: Dielectric and structural properties from ab initio calculations
- Dominik Fischer
- Alessandro Curioni
- et al.
- 2004
- Physical Review Letters
PaperAnalytic second variational derivative of the exchange-correlation functional
- Daniel Egli
- Salomon R. Billeter
- 2004
- Physical Review B - CMMP
PaperEfficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis
- Salomon R. Billeter
- Alessandro Curioni
- et al.
- 2003
- Computational Materials Science
Paper