Editing Reaction field

The '''reaction field''' method, sometimes known as the Onsager reaction field <ref>[http://dx.doi.org/10.1021/ja01299a050 Lars Onsager "Electric Moments of Molecules in Liquids", Journal of the American Chemical Society '''58''' pp. 1486-1493 (1936)]</ref>, was introduced by Barker and Watts <ref>[http://dx.doi.org/10.1080/00268977300102101 J. A. Barker and R. O. Watts "Monte Carlo studies of the dielectric properties of water-like models", Molecular Physics '''26''' pp. 789-792 (1973)]</ref><ref>[http://dx.doi.org/10.1080/00268977400102381 R. O. Watts "Monte Carlo studies of liquid water", Molecular Physics '''28''' pp. 1069-1083 (1974)]</ref>.

<ref>[http://dx.doi.org/10.1063/1.4898147 Victor H. Elvira and Luis G. MacDowell "Damped reaction field method and the accelerated convergence of the real space Ewald summation", Journal of Chemical Physics '''141''' 164108 (2014)]</ref>.

<ref>[http://dx.doi.org/10.1016/0009-2614(94)01298-9  Benito Garzón, Santiago Lago and Carlos Vega "Reaction field simulations of the vapor-liquid equilibria of dipolar fluids: Does the reaction field dielectric constant affect the coexistence properties?", Chemical Physics Letters '''231''' pp. 366-372 (1994)]</ref>

[[Monte Carlo]] simulations have been performed for dipolar anisotropic models ([[hard spherocylinders]] <ref>[http://dx.doi.org/10.1080/002689797170004 Alejandro Gil-Villegas, Simon C. McGrother and George Jackson  "Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals", Molecular Physics '''92''' pp. 723-734 (1997)]</ref> and the [[Gay-Berne model]] <ref>[http://dx.doi.org/10.1080/002689798167944 Mohammed Houssa, Abdelkrim Oualid and Luis F. Rull "Reaction field and Ewald summation study of mesophase formation in dipolar Gay-Berne model", Molecular Physics '''94''' pp. 439-446 (1998)]</ref>), both indicating that the results for the reaction field and the [[Ewald sum]] are equivalent. However, the reaction field presents a considerable reduction in the computer time required.

<references/>

*[http://dx.doi.org/10.1080/00268978000100361 Martin Neumann and Othmar Steinhauser "The influence of boundary conditions used in machine simulations on the structure of polar systems", Molecular Physics '''39''' pp. 437-454 (1980)]

*[http://dx.doi.org/10.1080/00268978400101081 Martin Neumann, Othmar Steinhauser and G. Stuart Pawley "Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations", Molecular Physics '''52''' pp. 97-113 (1984)]

*[http://dx.doi.org/10.1063/1.448553 Martin Neumann "The dielectric constant of water. Computer simulations with the MCY potential", Journal of Chemical Physics '''82''' pp. 5663-5672 (1985)]

*[http://dx.doi.org/10.1063/1.3081138 Andrij Baumketner "Removing systematic errors in interionic potentials of mean force computed in molecular simulations using reaction-field-based electrostatics", Journal of Chemical Physics '''130''' 104106 (2009)]