### Abstract

Language | English |
---|---|

Title of host publication | Variational Methods in Molecular Modeling |

Editors | Jianzhong Wu |

Publisher | Springer |

Pages | 137-154 |

Number of pages | 18 |

ISBN (Print) | 9789811025006 |

DOIs | |

Publication status | Published - 18 Dec 2016 |

### Publication series

Name | Molecular Modeling and Simulation |
---|---|

Publisher | Springer |

ISSN (Print) | 2364-5083 |

### Fingerprint

### Keywords

- electrolyte solutions
- variational perturbation theory
- interaction potential
- electrostatic forces
- partition function
- Green’s function
- e Poisson-Boltzmann theory
- dispersion interactions

### Cite this

*Variational Methods in Molecular Modeling*(pp. 137-154). (Molecular Modeling and Simulation). Springer. https://doi.org/10.1007/978-981-10-2502-0_5

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*Variational Methods in Molecular Modeling.*Molecular Modeling and Simulation, Springer, pp. 137-154. https://doi.org/10.1007/978-981-10-2502-0_5

**Variational perturbation theory for electrolyte solutions.** / Lue, Leo.

Research output: Chapter in Book/Report/Conference proceeding › Chapter

TY - CHAP

T1 - Variational perturbation theory for electrolyte solutions

AU - Lue, Leo

PY - 2016/12/18

Y1 - 2016/12/18

N2 - In most approaches to the statistical mechanics, the focus is on the particles in the system, where the partition function is given as an integral over their positions and orientations. In this chapter, we consider a field theoretic perspective, where the focus is on the interaction fields generated by the particles in the system, rather than the particles themselves. This approach has some advantages in that it can account for the large scale fluctuations in the system with natural approximation schemes. The two that are considered in this work are the mean-field approximation and variational perturbation theory. For electrolyte solutions, this leads naturally to the Poisson-Boltzmann theory and its improved modifications.

AB - In most approaches to the statistical mechanics, the focus is on the particles in the system, where the partition function is given as an integral over their positions and orientations. In this chapter, we consider a field theoretic perspective, where the focus is on the interaction fields generated by the particles in the system, rather than the particles themselves. This approach has some advantages in that it can account for the large scale fluctuations in the system with natural approximation schemes. The two that are considered in this work are the mean-field approximation and variational perturbation theory. For electrolyte solutions, this leads naturally to the Poisson-Boltzmann theory and its improved modifications.

KW - electrolyte solutions

KW - variational perturbation theory

KW - interaction potential

KW - electrostatic forces

KW - partition function

KW - Green’s function

KW - e Poisson-Boltzmann theory

KW - dispersion interactions

U2 - 10.1007/978-981-10-2502-0_5

DO - 10.1007/978-981-10-2502-0_5

M3 - Chapter

SN - 9789811025006

T3 - Molecular Modeling and Simulation

SP - 137

EP - 154

BT - Variational Methods in Molecular Modeling

A2 - Wu, Jianzhong

PB - Springer

ER -