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Otero-de-la-Roza, A., Luaña, Víctor (2011) Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation. Physical Review B, 84 (18) doi:10.1103/physrevb.84.184103

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Reference TypeJournal (article/letter/editorial)
TitleEquations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation
JournalPhysical Review B
AuthorsOtero-de-la-Roza, A.Author
Luaña, VíctorAuthor
Year2011 (November 11)Volume84
Issue18
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.84.184103Search in ResearchGate
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Mindat Ref. ID14216285Long-form Identifiermindat:1:5:14216285:1
GUID0
Full ReferenceOtero-de-la-Roza, A., Luaña, Víctor (2011) Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation. Physical Review B, 84 (18) doi:10.1103/physrevb.84.184103
Plain TextOtero-de-la-Roza, A., Luaña, Víctor (2011) Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation. Physical Review B, 84 (18) doi:10.1103/physrevb.84.184103
In(2011, November) Physical Review B Vol. 84 (18) American Physical Society (APS)

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Otero-de-la-Roza, A., Luaña, V. (2011) Treatment of first-principles data for predictive quasiharmonic thermodynamics of solids: The case of MgO. Physical Review B, 84 (2) doi:10.1103/physrevb.84.024109
Otero-de-la-Roza, A., Luaña, V. (2011) Accurate thermodynamics in the quasiharmonic approximation. Acta Crystallographica Section A Foundations of Crystallography, 67. doi:10.1107/s0108767311087289
Otero-de-la-Roza, A., Abbasi-Pérez, David, Luaña, Víctor (2011) Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation. Computer Physics Communications, 182. 2232-2248 doi:10.1016/j.cpc.2011.05.009
Otero-de-la-Roza, A., Luaña, Víctor (2011) A fast and accurate algorithm for QTAIM integration in solids. Journal of Computational Chemistry, 32 (2). 291-305 doi:10.1002/jcc.21620
Otero-de-la-Roza, Alberto, Luaña, V´ıctor (2011) Equations of state in solids: Fitting theoretical data, possibly including noise and jumps. Computational and Theoretical Chemistry, 975 (1). 111-115 doi:10.1016/j.comptc.2011.03.050
Otero-de-la-Roza, Alberto, Luaña, Víctor (2011) Topological Partition of the Elastic Constants of Crystals. The Journal of Physical Chemistry A, 115 (45). 12953-12961 doi:10.1021/jp2041718
Otero-de-la-Roza, A., Johnson, Erin R., Luaña, Víctor (2014) Critic2: A program for real-space analysis of quantum chemical interactions in solids. Computer Physics Communications, 185. 1007-1018 doi:10.1016/j.cpc.2013.10.026
Otero de la Roza, A., Luaña, Víctor (2009) Runwien: a text-based interface for the WIEN package. Computer Physics Communications, 180. 800-812 doi:10.1016/j.cpc.2008.11.024
Otero-de-la-Roza, A., Luaña, Víctor (2011) Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data. Computer Physics Communications, 182. 1708-1720 doi:10.1016/j.cpc.2011.04.016
Otero-de-la-Roza, A., Blanco, M.A., Pendás, A. Martín, Luaña, Víctor (2009) Critic: a new program for the topological analysis of solid-state electron densities. Computer Physics Communications, 180. 157-166 doi:10.1016/j.cpc.2008.07.018
Otero-de-la-Roza, A., Luaña, V. (2011) Topological partition of the crystal elastic constants. Acta Crystallographica Section A Foundations of Crystallography, 67. doi:10.1107/s0108767311088568
 
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