Polarizabilities of individual molecules and ions in liquids from first principles

Dipole polarizabilities of individual ionic or molecular species are computed in three different liquid systems: liquid water, molten salts and magmatic melts, the last two belonging to the class of ionic liquids. The method is based on a purely first-principles procedure. The liquid water polarizab...

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Bibliographic Details
Main Authors: Salanne, M, Vuilleumier, R, Madden, P, Simon, C, Turq, P, Guillot, B
Format: Journal article
Language:English
Published: 2008