Theoretical and computational methods in mineral physics

by Stixrude, Lars Wentzcovitch, Renata

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Title Statements

Full title :Theoretical and computational methods in mineral physics / editors, Renata Wentzcovitch and Lars Stixrude.

Edition Statements

Publication Date:©2010.

Publication Statements

Publisher(s):Mineralogical Society of America
Place of Publication:Chantilly, Va
Language:eng
Publication Date:©2010.

Notes

Copublished with Geochemical Society.

The Physical Object

Description:xvii, 484 pages : : illustrations ; : 23 cm

Edition Identifiers

ISBN:9780939950850, 0939950855
oclc:on1109243902
Dewey Decimal:549

Density functional theory of electronic structure : a short course for mineralogists and geophysicists / John P. Perdew and Adrienn Ruzsinszky -- The Minnesota density functionals and their applications to problems in mineralogy and geochemistry / Yan Zhao, Donald G. Truhlar -- Density-functional perturbation theory for quasi-harmonic calculations / Stefano Baroni, Paolo Giannozzi, Eyvaz Isaev -- Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory / Renata M. Wentzcovitch, Yonggang G. Yu, Zhongqing Wu -- First principles quasiharmonic thermoelasticity of mantle minerals / Renata M. Wentzcovitch, Zhongqing Wu, Pierre Carrier -- An overview of quantum Monte Carlo methods / David M. Ceperley -- Quantum Monte Carlo studies of transition metal oxides / Lubos Mitas, Jindrich Kolerenc -- Accurate and efficient calculations on strongly correlated minerals with the LDA+U method : review and perspectives / Matteo Cococcioni -- Spin-state crossover of iron in lower-mantle minerals : results of DFT+U investigations / Han Hsu [and others] -- Simulating diffusion / Michael W. Ammann, John P. Brodholt, David P. Dobson -- Modeling …