Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: Understanding linear response failure for the photoexcited hydrated electron

Autor: Bedard-Hearn, M J, Larsen, R E, Schwartz, Benjamin J

Publikováno v: Bedard-Hearn, M J; Larsen, R E; & Schwartz, Benjamin J. (2006). Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: Understanding linear response failure for the photoexcited hydrated electron. Physical Review Letters, 97(13). UCLA: Retrieved from: http://www.escholarship.org/uc/item/4cb929hm

We present a general analytic method for understanding how specific motions of a classical bath influence the dynamics of quantum-mechanical observables in mixed quantum-classical molecular dynamics simulations. We apply our method and develop expres

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::996274aec824ccf76ddb8c488659e2f7
http://www.escholarship.org/uc/item/4cb929hm

Secondary Ion Mass Spectrometry of Polymers: a ToF SIMS Study of Monodispersed PMMA Standards.

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SIMS and XPS studies of polyurethane surfaces 2. Polyurethanes with fluorinated chain extenders.

Autor: Hearn, M. J., Briggs, D., Yoon, S. C., Ratner, B. D.

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