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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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Библиографические подробности
Главные авторы: Aghtar, Mortaza, Liebers, Jörg, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich
Формат: Artigo
Язык:Inglês
Опубликовано: American Institute of Physics 2012
Предметы:
Online-ссылка: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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