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Computer simulation of the MgSiO3polymorphs

✍ Scribed by Masanori Matsui; Geoffrey D. Price


Publisher
Springer-Verlag
Year
1992
Tongue
English
Weight
791 KB
Volume
18
Category
Article
ISSN
0342-1791

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The relative stability of MgSiO3-ilmenite , MgSiO3-perovskite and (periclase+stishovite) assemblage phases as a function of the pressure is investigated with the periodic quantum mechanical ab initio Hartree-Fock program CRYSTAL. For the first time, the structure of MgSiO3-ilmenite is fully optimize