Concepedia

Theoretical infrared spectrum of OH-defects in forsterite

Etienne Balan, Jannick Ingrin, Simon Delattre, István Kovàcs, Marc Blanchard

European Journal of Mineralogy · 2011 · 73 citations · 30 references

DOI

Concepts

Abstract

International audience

References

30

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

, , +17

Phonons and related crystal properties from density-functional perturbation theory

Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso et al. · Reviews of Modern Physics · 2001 · 9.8K citations · Full text

, , +17

An IR absorption calibration for water in minerals

Eugen Libowitzky, George R. Rossman · American Mineralogist · 1997 · 474 citations

, , +12

First-principles modeling of the infrared spectrum of kaolinite

Etienne Balan, A. Marco Saitta, Francesco Mauri et al. · American Mineralogist · 2001 · 253 citations

, , +17