Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling

Author： Craig M. S. Warren M. C. Dove M. T. Gale J. D. Sanchez-Portal D. Ordejon P. Soler J. M. Artacho E.

ISSN： 0342-1791

Source： Physics and Chemistry of Minerals, Vol.31, Iss.1, 2004-02, pp. : 12-21

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