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HomeMaterials Science ForumMaterials Science Forum Vols. 207-209A Direct Method for Density Matrix Calculation:...

A Direct Method for Density Matrix Calculation: Application to Si Grain Boundaries in the Tight-Binding Scheme

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Intergranular and Interphase Boundaries in Materials II

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Periodical:

Materials Science Forum (Volumes 207-209)

Pages:

105-108

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.207-209.105

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Online since:

February 1996

Authors:

A. Hairie, F. Hairie, B. Lebouvier, E. Paumier

Keywords:

Bond Order, Density Matrix, Electronic Energy, Electronic Forces, Grain Boundary, Linear Scaling Order-N Method, Silicon, Tight-Binding

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© 1996 Trans Tech Publications Ltd. All Rights Reserved

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