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JOURNALS // Preprints of the Keldysh Institute of Applied Mathematics // Archive
Keldysh Institute preprints, 1997 105 (Mi ipmp1492)
An Adapted Car-Parrinello Method

V. D. Levchenko, P. A. Ovchenkov, V. Yu. Sidorenko


Abstract: An adapted Car-Parrinello method, a most universal and popular MD-method of simulation of real electronic and ionic configuration, has been briefly presented and used to obtaining a simple model structure.


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