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.
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页数：17
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