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Simultaneous molecular and spin dynamics: Quasiclassical approximation and quantum effects

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2 Author(s)
Antropov, V.P. ; Ames Laboratory and Department of Physics & Astronomy, Iowa State University, Ames, Iowa 50011 ; Harmon, B.N.

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We sketch the derivation of a set of equations of motion for the simultaneous treatment of both molecular and spin dynamics. The equations can be extended through the concept of imaginary time density functional theory, to describe the penetration of classically forbidden regions. © 1996 American Institute of Physics.

Published in:

Journal of Applied Physics  (Volume:79 ,  Issue: 8 )