Browsing by Author Frauenheim, Thomas
Showing results 1 to 3 of 3
| Issue Date | Title | Author(s) |
| 一月-2016 | Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals | Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 1-Jan-2016 | Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals | Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science |
| 5-七月-2007 | Relativistic parametrization of the self-consistent-charge density-functional tight-binding method. 1. Atomic wave functions and energies | Witek, Henryk A.; Koehler, Christof; Frauenheim, Thomas; Morokuma, Keiji; Elstner, Marcus; 應用化學系分子科學碩博班; Institute of Molecular science |
