Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions

Details Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions

2009-07-07

arxiv.org/abs/0907.1205v1

Mathematics

Analysis of PDEs

23 pages

Scientific paper

We present a rigorous derivation of classical molecular dynamics (MD) from
quantum molecular dynamics (QMD) that applies to the standard Hamiltonians of
molecular physics with Coulomb interactions. The derivation is valid away from
possible electronic eigenvalue crossings.

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