Nonorthogonal tight-binding molecular-dynamics scheme for silicon with improved transferability

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Phys Rev B | / 15卷 / 9231期

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[31] RELAXATION OF ICOSAHEDRAL-CAGE SILICON CLUSTERS VIA TIGHT-BINDING MOLECULAR-DYNAMICS
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[39] DEFECTS, TIGHT-BINDING, AND ABINITIO MOLECULAR-DYNAMICS SIMULATIONS ON A-SI
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