### Abstract

Language | English |
---|---|

Journal | Journal of Chemical Physics |

Volume | 140 |

Issue number | 04 |

Number of pages | 5 |

ISSN | 0021-9606 |

DOIs | |

State | Published - 2014 |

### Cite this

*Journal of Chemical Physics*,

*140*(04). DOI: 10.1063/1.4862173

}

*Journal of Chemical Physics*, vol 140, no. 04. DOI: 10.1063/1.4862173

**Discrete dynamics versus analytic dynamics.** / Toxværd, Søren.

Research output: Contribution to journal › Journal article

TY - JOUR

T1 - Discrete dynamics versus analytic dynamics

AU - Toxværd,Søren

PY - 2014

Y1 - 2014

N2 - For discrete classical Molecular dynamics obtained by the “Verlet” algorithm (VA) with the time increment h there exists a shadow Hamiltonian H˜ with energy E˜(h) , for which the discrete particle positions lie on the analytic trajectories for H˜ . Here, we proof that there, independent of such an analytic analogy, exists an exact hidden energy invariance E * for VA dynamics. The fact that the discrete VA dynamics has the same invariances as Newtonian dynamics raises the question, which of the formulations that are correct, or alternatively, the most appropriate formulation of classical dynamics. In this context the relation between the discrete VA dynamics and the (general) discrete dynamics investigated by Lee [Phys. Lett. B122, 217 (1983)] is presented and discussed.

AB - For discrete classical Molecular dynamics obtained by the “Verlet” algorithm (VA) with the time increment h there exists a shadow Hamiltonian H˜ with energy E˜(h) , for which the discrete particle positions lie on the analytic trajectories for H˜ . Here, we proof that there, independent of such an analytic analogy, exists an exact hidden energy invariance E * for VA dynamics. The fact that the discrete VA dynamics has the same invariances as Newtonian dynamics raises the question, which of the formulations that are correct, or alternatively, the most appropriate formulation of classical dynamics. In this context the relation between the discrete VA dynamics and the (general) discrete dynamics investigated by Lee [Phys. Lett. B122, 217 (1983)] is presented and discussed.

U2 - 10.1063/1.4862173

DO - 10.1063/1.4862173

M3 - Journal article

VL - 140

JO - Journal of Chemical Physics

T2 - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 04

ER -