HAMILTONIANS FOR DISCRETE DYNAMICS

被引：57

作者：

TOXVAERD, S

机构：

[1] Department of Chemistry, H. C. Orsted Institute, University of Copenhagen

来源：

PHYSICAL REVIEW E | 1994年 / 50卷 / 03期

关键词：

D O I：

10.1103/PhysRevE.50.2271

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

The discrete dynamics obtained by a simple second-order map is shown to lead to an exact integration of harmonic modes with a conserved quantity: a ''shadow Hamiltonian.'' The exact relations for ''velocity'' and energy are used to correct the energy obtained by the second-order algorithm commonly used in molecular dynamics simulations for complex many-body systems and lead to an improved energy conservation with a factor of 4 to 5.

引用

页码：2271 / 2274

页数：4

共 16 条

[1]

[Anonymous], COMPUTER SIMULATION

[2]

BATEMAN H, 1953, HIGH TRANSCENDENTAL, V2, pCH10

[3] 2ND-ORDER DYNAMICS IN THE COLLECTIVE TEMPORAL EVOLUTION OF COMPLEX-SYSTEMS [J].