Publications: Scientific computing
Years
These papers are ordered by article relevance.
- Analytical excited state forces for the time-dependent density-functional tight-binding method
- D. Heringer, T. A. Niehaus, M. Wanko, Th. Frauenheim
Journal Of Computational Chemistry 28, 2589 - 2601 (2007) - Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
- X. Andrade, S. Botti, M.A.L. Marques, A. Rubio
Journal of Chemical Physics 126, 184106 - 8 (2007) - An extensible and portable file format for electronic structure and crystallographic data
- Gonze, X., Almbladh, C.O., Cucca, A., Caliste, D., Freysoldt, C., Marques, M., Olevano, V., Pouillon, Y., Verstraete, M. J.
PsiK newsletter, Scientific Highlight of the Month 83, 53 - 62 (2007)