The vibrational frequencies of forsterite Mg2SiO4: an all-electron ab initio study with the CRYSTAL code
Author:
Publisher
Springer Science and Business Media LLC
Subject
Geochemistry and Petrology,General Materials Science
Link
http://link.springer.com/content/pdf/10.1007/s00269-006-0085-y.pdf
Reference44 articles.
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3. Becke AD (1993) Density-functional thermochemistry. III. the role of exact exchange. J Chem Phys 98:5648–5652
4. Born M, Huang K (1954) Dynamical theory of crystal lattices. Oxford University Press, Oxford
5. Brodholt J, Patel A, Refson K (1996) An ab initio study of the compressional behavior of forsterite. Am Mineral 81:257–260
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