Open AccessZero-point energy conservation in classical trajectory simulations: Application to H2CO
Author(s) -
Kin Long Kelvin Lee,
Mitchell S. Quinn,
Stephen J. Kolmann,
Scott H. Kable,
Meredith J. T. Jordan
Publication year - 2018
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 - 10.1063/1.5023508
Subject(s) - zero point energy , kinetic energy , potential energy surface , potential energy , physics , quantum mechanics , chemistry , ab initio
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