Entries of Elstner, M. on the publication server
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Number of items: 8.
2020
Hourahine, B. 
, Aradi, B. , Blum, V. , Bonafé, F. , Buccheri, A. , Camacho, C. , Cevallos, C., Deshaye, M. Y., Dumitrică, T. , Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J. , Irle, S. , Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J. , Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J. , Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A. , Yu, V. W.-z. and Frauenheim, T.
(2020)
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
The Journal of Chemical Physics 152 (12), p. 124101.
Fulltext not available.
, Aradi, B. , Blum, V. , Bonafé, F. , Buccheri, A. , Camacho, C. , Cevallos, C., Deshaye, M. Y., Dumitrică, T. , Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J. , Irle, S. , Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J. , Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J. , Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A. , Yu, V. W.-z. and Frauenheim, T.
(2020)
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
The Journal of Chemical Physics 152 (12), p. 124101.
Fulltext not available.
2014
Heck, A., Woiczikowski, P., Kubar, T., Welke, K., Niehaus, Thomas A. , Giese, B., Skourtis, S., Elstner, M. and make_name_string expected hash reference
(2014)
Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals.
The Journal of Physical Chemistry B 118 (16), pp. 4261-4272.
Fulltext not available.
, Giese, B., Skourtis, S., Elstner, M. and make_name_string expected hash reference
(2014)
Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals.
The Journal of Physical Chemistry B 118 (16), pp. 4261-4272.
Fulltext not available.
2005
Simdyankin, S. I., Elstner, M., Niehaus, Thomas A., Frauenheim, T. and Elliott, S. R.
(2005)
Influence of copper on the electronic properties of amorphous chalcogenides.
Phys. Rev. B 72, 020202.
Fulltext not available.
2004
Wanko, M., Garavelli, M., Bernardi, F., Niehaus, Thomas A., Frauenheim, T. and Elstner, M.
(2004)
A global investigation of excited state surfaces within time-dependent density-functional response theory.
J. Chem. Phys. 120, pp. 1674-1692.
Fulltext not available.
2002
Frauenheim, Th., Seifert, G., Elstner, M., Niehaus, Thomas A., Köhler, C., Amkreutz, M., Sternberg, M., Hajnal, Z., Di Carlo, A. and Suhai, S.
(2002)
Atomistic simulations of complex materials: ground-state and excited-state properties.
J. Phys.: Condens. Matter 14, p. 3015.
Fulltext not available.
2001
Niehaus, Thomas A., Elstner, M., Frauenheim, Th. and Suhai, S.
(2001)
Application of an approximate density-functional method to sulphur containing compounds.
J. Mol. Struc., THEOCHEM 541, p. 185.
Fulltext not available.
Torralva, B., Niehaus, Thomas A., Allen, R. E., Elstner, M., Frauenheim, Th. and Suhai, S.
(2001)
Response of C(<sub>60</sub>) and C(<sub>n</sub>) to ultrashort laser pulses.
Phys. Rev. B 64, p. 153105.
Fulltext not available.
Niehaus, Thomas A., Suhai, S., Della Sala, F., Lugli, P., Elstner, M., Seifert, G. and Frauenheim, Th.
(2001)
Tight-binding approach to time-dependent density-functional response theory.
Phys. Rev. B 63, 085108.
Fulltext not available.