Shadow Hamiltonian in classical NVE molecular dynamics simulations involving Coulomb interactions
Author:
Affiliation:
1. Cambridge, United Kingdom
2. Department of Physics, Royal Holloway, University of London, Egham, Surrey TW20 0EX, United Kingdom
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0048194
Reference58 articles.
1. Molecular dynamics simulation of rigid molecules
2. Hamiltonians for discrete dynamics
3. Energy conservation in molecular dynamics simulations of classical systems
4. Stability of molecular dynamics simulations of classical systems
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