Canonical mean-field molecular dynamics derived from quantum mechanics

  title={Canonical mean-field molecular dynamics derived from quantum mechanics},
  author={Xin Huang and Petr Plech{\'a}{\vc} and Mattias Sandberg and Anders Szepessy},
Canonical quantum correlation observables can be approximated by classical molecular dynamics. In the case of low temperature  the ab initio molecular dynamics potential energy is based on the ground state electron eigenvalue problem and the accuracy has been proven to be [[EQUATION]] provided the first electron eigenvalue gap is sufficiently large compared to the given temperature and [[EQUATION]] is the ratio of nuclei and electron masses. For higher temperature eigenvalues corresponding to… 



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