منابع مشابه
A pr 1 99 9 Equations of structural relaxation
In the mode coupling theory of the liquid to glass transition the long time structural relaxation follows from equations solely determined by equilibrium structural parameters. The present extension of these structural relaxation equations to arbitrarily short times on the one hand allows calculations unaffected by model assumptions about the microscopic dynamics and on the other hand supplies ...
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The convergence of waveform relaxation techniques for solving functional-diierential equations is studied. New error estimates are derived that hold under linear and nonlinear conditions for the right-hand side of the equation. Sharp error bounds are obtained under generalized time-dependent Lipschitz conditions. The convergence of the waveform method and the quality of the a priori error bound...
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We introduce a simple local atomic structure optimization algorithm which is significantly faster than standard implementations of the conjugate gradient method and often competitive with more sophisticated quasi-Newton schemes typically used in ab initio calculations. It is based on conventional molecular dynamics with additional velocity modifications and adaptive time steps. The surprising e...
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ژورنال
عنوان ژورنال: Philosophical Magazine B
سال: 1999
ISSN: 1364-2812,1463-6417
DOI: 10.1080/13642819908223062