Dynamics of a local algorithm for simulating Coulomb interactions
نویسندگان
چکیده
منابع مشابه
Coulomb Interactions via Local Dynamics: A Molecular–Dynamics Algorithm
We derive and describe in detail a recently proposed method for obtaining Coulomb interactions as the potential of mean force between charges which are dynamically coupled to a local electromagnetic field. We focus on the Molecular Dynamics version of the method and show that it is intimately related to the Car– Parrinello approach, while being equivalent to solving Maxwell’s equations with fre...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2002
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1487821