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Volumn 408, Issue , 1996, Pages 55-60
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O(N) scaling simulations of silicon bulk and surface properties based on a non-orthogonal tight-binding Hamiltonian
a
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Author keywords
[No Author keywords available]
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Indexed keywords
ACTIVATION ENERGY;
ALGORITHMS;
AMORPHOUS MATERIALS;
CALCULATIONS;
COMPUTER SIMULATION;
CRYSTALLINE MATERIALS;
INTERFACIAL ENERGY;
MATHEMATICAL MODELS;
MATRIX ALGEBRA;
POINT DEFECTS;
SILICON;
SURFACE PROPERTIES;
FIRST PRINCIPLES TOTAL ENERGY CALCULATIONS;
NON ORTHOGONAL DENSITY MATRIX METHOD;
NON ORTHOGONAL TIGHT BINDING HAMILTONIAN;
SCALING SIMULATION;
MOLECULAR DYNAMICS;
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EID: 0030312766
PISSN: 02729172
EISSN: None
Source Type: Conference Proceeding
DOI: None Document Type: Conference Paper |
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Times cited : (2)
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References (14)
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