ALGORITHMS FOR NON-HAMILTONIAN DYNAMICS

被引：1

作者：

Sergi, Alessandro ^{[1
]}

Ezra, Gregory S. ^{[2
]}

机构：

[1] Univ KwaZulu Natal, Sch Phys, Private Bag X01 Scottsville, ZA-3201 Pietermaritburg, South Africa

[2] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA

来源：

ATTI ACCADEMIA PELORITANA DEI PERICOLANTI-CLASSE DI SCIENZE FISICHE MATEMATICHE E NATURALI | 2010年 / 88卷 / 02期

基金：

新加坡国家研究基金会;

关键词：

D O I：

10.1478/C1C1002002

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Statistical averages in a variety of many-body problems can be efficiently calculated through deterministic dynamics. When thermodynamical constraints (such as constant-temperature and/or constant-pressure) must be enforced, energy-conserving non-Hamiltonian dynamics becomes the method of choice. Integration of the resulting associated equations of motion requires advanced algorithms. For a number of cases, we show in detail how to derive both time-reversible algorithms and time-reversible measure-preserving integration methods.

引用

页数：17

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