The transfer of energy between electrons and ions in solids

Autor: Horsfield, A. P., Bowler, D. R., Ness, H., Sanchez, C. G., Todorov, T. N., Fisher, A. J.

Publikováno v: Reports on Progress in Physics 69 1195-1234 (2006)

In this review we consider those processes in condensed matter that involve the irreversible flow of energy between electrons and nuclei that follows from a system being taken out of equilibrium. We survey some of the more important experimental phen

Externí odkaz: http://arxiv.org/abs/cond-mat/0603531

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

Autor: Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitric, T. Ä., 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., Å&tild, ezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-Z., Frauenheim, T.

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (12), pp.124101. ⟨10.1063/1.5143190⟩
The Journal of Chemical Physics
The journal of chemical physics, 152 (12), Art. Nr.: 124101
Buccheri, A, Hourahine, B, Aradi, B, Blum, V, Bonafé, F, Camacho, C, Cevallos, C, Deshaye, M, Dumitrica, T, García, A, Ehlert, S, Elstner, M, van der Heide, T, Hermann, J, Irle, S, Kranz, J, Köhler, C, Kowalczyk, T, Kubar, T, Seong Lee, I, Lutsker, V, Maurer, R, Min, S, Mitchell, I, Negre, C, Niehaus, T, Niklasson, A, Page, A, Pecchia, A, Penazzi, G, Persson, M, Rezac, J, Sanchez, C, Sternberg, M, Stöhr, M, Stuckenberg, F, Tkatchenko, A, Yu, W & Frauenheim, T 2020, ' DFTB+, a software package for efficient approximate density functional theory based atomistic simulations ', Journal of Chemical Physics, vol. 152, no. 12, 152, pp. 124101 . https://doi.org/10.1063/1.5143190
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
info:eu-repo/grantAgreement/EC/H2020/725291

DFTB+ is a versatile community developed open source software package offering fast and efficient methods for carrying out atomistic quantum mechanical simulations. By implementing various methods approximating density functional theory (DFT), such a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5003999f34dc1eef1800351ddd785f64
https://hal.archives-ouvertes.fr/hal-02537806/file/1.5143190.pdf

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Energy for Sustainable Development

Autor: Pelaez Samaniego, Manuel Raúl, Mesa Pérez, J., Cortez L., A. B., Rocha, J. D., Sánchez, C. G., Marín, H.

Publikováno v: Repositorio Universidad de Cuenca
Universidad de Cuenca
instacron:UCUENCA

The aim of this paper is to report the results on the behavior of an Otto engine working with mixed gasoline with a fraction rich in carboxylic acid esters derived from biomass pyrolysis bio-oil, for the present it is called as "Bioflex". Sugarcane t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3056::d1f3de5292c8a2e752a81aeb37047a5d
http://dspace.ucuenca.edu.ec/handle/123456789/21998

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