Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions
classification
🧮 math.AP
keywords
moleculardynamicsclassicalcoulombderivationinteractionsquantumapplies
read the original abstract
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.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.