Memory kernels from molecular dynamics
- 1 September 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (5) , 2462-2463
- https://doi.org/10.1063/1.442269
Abstract
A numerical procedure is presented for the direct computation of memory kernels in generalized Langevin representations of time correlation functions. The procedure will facilitate analysis of the microscopic dynamics of a wide variety of systems, ranging from simple solids to globular proteins.Keywords
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