### Abstract

Integral equations of the Ornstein-Zernike (OZ) type have been useful constructs in the theory of liquids for nearly a century. Only a limited number of model systems yield an analytic solution; the rest must be solved numerically. For anisotropic systems the numerical problems are heightened by the coupling of more unknowns and equations. A matrix method for solving the full anisotropic OZ integral equation is presented. The method is compared in the isotropic limit with traditional approaches. Examples are given for a 1-D fluid with a corrugated (periodic) external potential. The full two point correlation functions for both isotropic and anisotropic systems are given and discussed.

Original language | English (US) |
---|---|

Pages (from-to) | 239-250 |

Number of pages | 12 |

Journal | Computer Physics Communications |

Volume | 85 |

Issue number | 2 |

DOIs | |

State | Published - 1995 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Hardware and Architecture
- Physics and Astronomy(all)

### Cite this

**Non-isotropic solution of an OZ equation : matrix methods for integral equations.** / Chen, Zhuo Min; Pettitt, Bernard.

Research output: Contribution to journal › Article

*Computer Physics Communications*, vol. 85, no. 2, pp. 239-250. https://doi.org/10.1016/0010-4655(94)00146-S

}

TY - JOUR

T1 - Non-isotropic solution of an OZ equation

T2 - matrix methods for integral equations

AU - Chen, Zhuo Min

AU - Pettitt, Bernard

PY - 1995

Y1 - 1995

N2 - Integral equations of the Ornstein-Zernike (OZ) type have been useful constructs in the theory of liquids for nearly a century. Only a limited number of model systems yield an analytic solution; the rest must be solved numerically. For anisotropic systems the numerical problems are heightened by the coupling of more unknowns and equations. A matrix method for solving the full anisotropic OZ integral equation is presented. The method is compared in the isotropic limit with traditional approaches. Examples are given for a 1-D fluid with a corrugated (periodic) external potential. The full two point correlation functions for both isotropic and anisotropic systems are given and discussed.

AB - Integral equations of the Ornstein-Zernike (OZ) type have been useful constructs in the theory of liquids for nearly a century. Only a limited number of model systems yield an analytic solution; the rest must be solved numerically. For anisotropic systems the numerical problems are heightened by the coupling of more unknowns and equations. A matrix method for solving the full anisotropic OZ integral equation is presented. The method is compared in the isotropic limit with traditional approaches. Examples are given for a 1-D fluid with a corrugated (periodic) external potential. The full two point correlation functions for both isotropic and anisotropic systems are given and discussed.

UR - http://www.scopus.com/inward/record.url?scp=0009346231&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0009346231&partnerID=8YFLogxK

U2 - 10.1016/0010-4655(94)00146-S

DO - 10.1016/0010-4655(94)00146-S

M3 - Article

VL - 85

SP - 239

EP - 250

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

IS - 2

ER -