نتایج جستجو برای: electron localization function

تعداد نتایج: 1602634  

Journal: :Proceedings of the National Academy of Sciences 2017

Journal: :The Journal of chemical physics 2010
Artur R Menzeleev Thomas F Miller

Ring polymer molecular dynamics (RPMD) is used to directly simulate the injection and relaxation of excess electrons into supercritical helium fluid and ambient liquid water. A method for modulating the initial energy of the excess electron in the RPMD model is presented and used to study both low-energy (cold) and high-energy (hot) electron injections. For cold injection into both solvents, th...

Journal: :Cell Motility and the Cytoskeleton 2001

Journal: :Transactions of the Society of Instrument and Control Engineers 2005

Journal: :Journal of Biological Chemistry 2002

1997
Michael Rosenblit Joshua Jortner

In this paper, we address the relations between the structure, electronic level structure, energetics, and localization dynamics of an excess electron in a bubble in liquid 4He, 3He, and Ne. Our treatment of the dynamics of formation for the electron bubble rests on a quantum mechanical Wigner-Seitz description of the excess electron in conjunction with a hydrodynamic picture for the liquid. Th...

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