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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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Bibliografski detalji
Glavni autori: Aghtar, Mortaza, Liebers, Jörg, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich
Format: Artigo
Jezik:Inglês
Izdano: American Institute of Physics 2012
Teme:
Online pristup: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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