Open AccessShadow Hamiltonian in classical NVE molecular dynamics simulations involving Coulomb interactions
Author(s) -
Kenton D. Hammonds,
D. M. Heyes
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0048194
Subject(s) - molecular dynamics , hamiltonian (control theory) , coulomb , statistical physics , physics , chemistry , classical mechanics , computational physics , electron , quantum mechanics , mathematics , mathematical optimization
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