Title of article :
A comparable study of image approximations to the reaction field Original Research Article
Author/Authors :
Shaozhong Deng، نويسنده , , Wei Cai، نويسنده , , Donald Jacobs، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2007
Abstract :
The recently developed high-order accurate multiple image approximation to the reaction field for a charge inside a dielectric sphere [J. Comput. Phys. 223 (2007) 846–864] is compared favorably to other commonly employed reaction field schemes. These methods are of particular interest because they are useful in the study of biological macromolecules by the Monte Carlo and Molecular Dynamics methods.
Keywords :
Method of images , Reaction field , Electrostatic interaction , Coulomb potential , Hybrid solvation model
Journal title :
Computer Physics Communications
Journal title :
Computer Physics Communications