Juxtaposing density matrix and classical path-based wave packet dynamics

In many physical, chemical, and biological systems energy and charge transfer processes are of utmost importance. To determine the influence of the environment on these transport processes, equilibrium molecular dynamics simulations become more and more popular. From these simulations, one usually d...

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Bibliographic Details
Main Authors: Aghtar, Mortaza, Liebers, Jörg, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich
Format: Artigo
Language:Inglês
Published: American Institute of Physics 2012
Subjects:
Theoretical Methods and Algorithms
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3376871/
https://ncbi.nlm.nih.gov/pubmed/22697524
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4723669
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