First-Principles Calculations of Physical Properties of Planetary Ices

  • Razvan Caracas
Part of the Astrophysics and Space Science Library book series (ASSL, volume 356)


We review specific aspects from computational condensed-matter physics with particular interest to the study of physical properties of the planetary ices. We describe the most widespread technique in use today, the density-functional theory and its derivative, the density-functional perturbation theory. We show the basic theoretical formalism and then discuss and exemplify the most important physical properties that can be computed today and that are relevant for the community of planetary ices.


Atomic Displacement Dynamical Matrice Dielectric Tensor Dynamical Charge Phonon Band 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  1. 1.Centre National de la Recherche Scientifique, Laboratoire de Sciences de la TerreEcole Normale Supérieure de LyonLyon cedex 07France

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