Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Sara G. Mayo"'
Autor:
Alec Wills, Anthony Mannino, Isidro Losada, Sara G. Mayo, Jose M. Soler, Marivi Fernández-Serra
Publikováno v:
Physical Review Research, Vol 6, Iss 3, p 033095 (2024)
The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps one to understand the connection between the dielectric properties and the underlying forces. We present a simple linear-response model of screen
Externí odkaz:
https://doaj.org/article/5740705f203d47b08b993a407ab33cd4
Autor:
Rafi Ullah, Georg Huhs, Emanuele Bosoni, Volker Blum, Alberto García, Pablo Ordejón, Emilio Artacho, Andrei Postnikov, Irina V. Lebedeva, Fabiano Corsetti, Richard Korytár, Miguel Pruneda, Ramón Cuadrado, Vladimir Dikan, Roberto Robles, Pablo García-Fernández, Jaime Ferrer, Mads Brandbyge, Javier Junquera, Jorge Cerdá, José M. Soler, Pedro Brandimarte, Nick Rübner Papior, Lin Lin, Victor Yu, Stephan Mohr, Sandra García, Sergio Illera, Peter Koval, Víctor M. García-Suárez, Arsalan Akhtar, Yann Pouillon, Pablo López-Tarifa, Sara G. Mayo, Julian D. Gale, Daniel Sánchez-Portal
Publikováno v:
Recercat. Dipósit de la Recerca de Catalunya
instname
The Journal of Chemical Physics
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (20), pp.204108. ⟨10.1063/5.0005077⟩
Digital.CSIC. Repositorio Institucional del CSIC
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
J. Chem. Phys. 152, 204108 (2020)
UCrea Repositorio Abierto de la Universidad de Cantabria
Universidad de Cantabria (UC)
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Scopus
RUO: Repositorio Institucional de la Universidad de Oviedo
Universidad de Oviedo (UNIOVI)
RUO. Repositorio Institucional de la Universidad de Oviedo
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
García, A, Papior, N R, Akhtar, A, Artacho, E, Blum, V, Bosoni, E, Brandimarte, P, Brandbyge, M, Cerdá, J I, Corsetti, F, Cuadrado, R, Dikan, V, Ferrer, J, Gale, J, García-Fernández, P, García-Suárez, V M, García, S, Huhs, G, Illera, S, Korytár, R, Koval, P, Lebedeva, I, Lin, L, López-Tarifa, P, Mayo, S G, Mohr, S, Ordejón, P, Postnikov, A, Pouillon, Y, Pruneda, M, Robles, R, Sánchez-Portal, D, Soler, J M, Ullah, R, Yu, V W & Junquera, J 2020, ' Siesta: Recent developments and applications ', Journal of Chemical Physics, vol. 152, no. 20, 204108 . https://doi.org/10.1063/5.0005077
instname
The Journal of Chemical Physics
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (20), pp.204108. ⟨10.1063/5.0005077⟩
Digital.CSIC. Repositorio Institucional del CSIC
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
J. Chem. Phys. 152, 204108 (2020)
UCrea Repositorio Abierto de la Universidad de Cantabria
Universidad de Cantabria (UC)
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Scopus
RUO: Repositorio Institucional de la Universidad de Oviedo
Universidad de Oviedo (UNIOVI)
RUO. Repositorio Institucional de la Universidad de Oviedo
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
García, A, Papior, N R, Akhtar, A, Artacho, E, Blum, V, Bosoni, E, Brandimarte, P, Brandbyge, M, Cerdá, J I, Corsetti, F, Cuadrado, R, Dikan, V, Ferrer, J, Gale, J, García-Fernández, P, García-Suárez, V M, García, S, Huhs, G, Illera, S, Korytár, R, Koval, P, Lebedeva, I, Lin, L, López-Tarifa, P, Mayo, S G, Mohr, S, Ordejón, P, Postnikov, A, Pouillon, Y, Pruneda, M, Robles, R, Sánchez-Portal, D, Soler, J M, Ullah, R, Yu, V W & Junquera, J 2020, ' Siesta: Recent developments and applications ', Journal of Chemical Physics, vol. 152, no. 20, 204108 . https://doi.org/10.1063/5.0005077
This article is part of the JCP Special Topic on Electronic Structure Software.
A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-1990s, SIESTA’s flexibility,
A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-1990s, SIESTA’s flexibility,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a00924d7ef2c92eb2fbe94ad16c1f7a1
http://hdl.handle.net/2072/441541
http://hdl.handle.net/2072/441541
Publikováno v:
Biblos-e Archivo. Repositorio Institucional de la UAM
Universidad Camilo José Cela (UCJC)
Universidad Camilo José Cela (UCJC)
The presence of sharp peaks in the real part of the static dielectric response function are usually accepted as indication of charge or spin instabilities in a material. However, there are misconceptions that Fermi surface (FS) nesting guarantees a p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dad875f026db7580cfb0ed1571c0d466
http://hdl.handle.net/10486/703091
http://hdl.handle.net/10486/703091
Publikováno v:
Journal of Physics: Condensed Matter. 32:205902
We present a simple view on band unfolding of the energy bands obtained from supercell calculations. It relies on the relationship between the local density of states in reciprocal space (qLDOS) and the fully unfolded band structure. This provides an