### Abstract

The calculation of the polarization charges using the induced charge computation (ICC) method was presented. A different solution was given for their extremum condition that produced a matrix formulation. The induced charges were calculated using a linear matrix equation Ah=c, where h contained the discretized induced charge density, c depended only on the source charges, and A depended on the geometry of dielectrics which was assumed to be unchanged during the simulation. The efficiency and accuracy of the method was also verified using Monte Carlo simulations for two special cases.

Original language | English |
---|---|

Article number | 046702 |

Journal | Physical Review E - Statistical, Nonlinear, and Soft Matter Physics |

Volume | 69 |

Issue number | 4 2 |

Publication status | Published - Apr 2004 |

### Fingerprint

### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Condensed Matter Physics
- Statistical and Nonlinear Physics
- Mathematical Physics

### Cite this

*Physical Review E - Statistical, Nonlinear, and Soft Matter Physics*,

*69*(4 2), [046702].

**Computing induced charges in inhomogeneous dielectric media : Application in a Monte Carlo simulation of complex ionic systems.** / Boda, D.; Gillespie, Dirk; Nonner, Wolfgang; Henderson, Douglas; Eisenberg, Bob.

Research output: Contribution to journal › Article

*Physical Review E - Statistical, Nonlinear, and Soft Matter Physics*, vol. 69, no. 4 2, 046702.

}

TY - JOUR

T1 - Computing induced charges in inhomogeneous dielectric media

T2 - Application in a Monte Carlo simulation of complex ionic systems

AU - Boda, D.

AU - Gillespie, Dirk

AU - Nonner, Wolfgang

AU - Henderson, Douglas

AU - Eisenberg, Bob

PY - 2004/4

Y1 - 2004/4

N2 - The calculation of the polarization charges using the induced charge computation (ICC) method was presented. A different solution was given for their extremum condition that produced a matrix formulation. The induced charges were calculated using a linear matrix equation Ah=c, where h contained the discretized induced charge density, c depended only on the source charges, and A depended on the geometry of dielectrics which was assumed to be unchanged during the simulation. The efficiency and accuracy of the method was also verified using Monte Carlo simulations for two special cases.

AB - The calculation of the polarization charges using the induced charge computation (ICC) method was presented. A different solution was given for their extremum condition that produced a matrix formulation. The induced charges were calculated using a linear matrix equation Ah=c, where h contained the discretized induced charge density, c depended only on the source charges, and A depended on the geometry of dielectrics which was assumed to be unchanged during the simulation. The efficiency and accuracy of the method was also verified using Monte Carlo simulations for two special cases.

UR - http://www.scopus.com/inward/record.url?scp=42749100087&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=42749100087&partnerID=8YFLogxK

M3 - Article

C2 - 15169126

AN - SCOPUS:42749100087

VL - 69

JO - Physical review. E

JF - Physical review. E

SN - 2470-0045

IS - 4 2

M1 - 046702

ER -