Compactness of Molecular Reaction Paths in Quantum Mechanics

@article{Anapolitanos2020CompactnessOM,
  title={Compactness of Molecular Reaction Paths in Quantum Mechanics},
  author={Ioannis Anapolitanos and Mathieu Lewin},
  journal={Archive for Rational Mechanics and Analysis},
  year={2020},
  volume={236},
  pages={505-576}
}
  • Ioannis Anapolitanos, Mathieu Lewin
  • Published 2020
  • Mathematics, Physics
  • Archive for Rational Mechanics and Analysis
  • We study isomerizations in quantum mechanics. We consider a neutral molecule composed of N quantum electrons and M classical nuclei and assume that the first eigenvalue of the corresponding N -particle Schrödinger operator possesses two local minima with respect to the locations of the nuclei. An isomerization is a mountain pass problem between these two local configurations, where one minimizes over all possible paths the highest value of the energy along the path. Here we state a conjecture… CONTINUE READING

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