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Mineralogical Magazine; December 1995; v. 59; no. 4; p. 589-596
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Ab initio total energy studies of minerals using density functional theory and the local density approximation

Bjoern Winkler, Victor Milman, and Michael C. Payne

Christian-Albrechts Universitaet, Mineralogisch-Petrographisches Institut, Kiel, Federal Republic of Germany
Molecular Simulations, United Kingdom
University of Cambridge, United Kingdom

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