Abstract
A new direct method for calculation of coherent memory functions (MFs) entering the Nakajima-Zwanzig (or GME) equation is presented for rigid molecular chains with natural boundary conditions. The method is illustrated on the chains with three and five molecules and various kinds of imperfections. Obtained results imply a necessity of a more careful interpretation of experimental data (e.g. diffusivity).
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The authors would like to thank Dr. V. fCápek for stimulating discussions and critical reading of the manuscript.
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Barvík, I., Szőcs, V. Coherent memory functions for finite molecular systems. A direct method of calculation. Czech J Phys 33, 802–809 (1983). https://doi.org/10.1007/BF01589753
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DOI: https://doi.org/10.1007/BF01589753