HAMILTONIANS FOR DISCRETE DYNAMICS

Authors
TOXVAERD S
Citation
S. Toxvaerd, HAMILTONIANS FOR DISCRETE DYNAMICS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 50(3), 1994, pp. 2271-2274
Citations number
16
Categorie Soggetti
Physycs, Mathematical","Phsycs, Fluid & Plasmas
Journal title
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics → ACNP
ISSN journal
1063651X
Volume
50
Issue
3
Year of publication
1994
Pages
2271 - 2274
Database
ISI
SICI code
1063-651X(1994)50:3<2271:HFDD>2.0.ZU;2-D
Abstract
The discrete dynamics obtained by a simple second-order map is shown t o lead to an exact integration of harmonic modes with a conserved quan tity: a ''shadow Hamiltonian.'' The exact relations for ''velocity'' a nd 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 f actor of 4 to 5.