Hamiltonians for discrete dynamics
- 1 September 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 50 (3) , 2271-2274
- https://doi.org/10.1103/physreve.50.2271
Abstract
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.Keywords
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