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The Reaction Field and Image Charge Methods

The Reaction Field and Image Charge Methods. In these approximations we divide the system in two parts 1. an inner region where the atomic charges q are explicitly treated 2. an outer region which is treated as a continuous dielectric medium. The Reaction Field Method. The Image Charge Method.

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The Reaction Field and Image Charge Methods

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  1. The Reaction Field and Image Charge Methods In these approximations we divide the system in two parts1. an inner region where the atomic charges q are explicitly treated2. an outer region which is treated as a continuous dielectric medium

  2. The Reaction Field Method

  3. The Image Charge Method

  4. Ewald Sum

  5. The Cell Multipole Method

  6. References 1.Wilfred F. van Gunsteren, Herman J.C. Berendsen, “Computer simulation of molecular dynamics: methodology, applications, and perespectives in Chemistry”, Angew. Chem. Int. Ed. Engl. 29 (1990), 992.2. Harold. L. Friedman, “Image approximation to the reaction field”, Mol. Phys. 29 (1975), 1533.3. Hong-Qiang Ding, Naoki Karasawa, William A. Goddard III, “Atomic level simulations on a million particles: the cell multiple method for Culomb and London non-bond interactions”, J. Chem. Phys. 97 (1992), 4309.

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