Exact-Factorization Framework for Electron–Nuclear Dynamics in Electromagnetic Fields
Abstract
397). From an intuitive argument that the atom must not be deflected by the Lorentz force from a straight line trajectory, it has been conjectured that the same compensation should occur within the EF theory as well. We prove that this property persists within the exact nonadiabatic theory, provided the atom is in its eigenstate. The latter finds itself in the conspicuous variance with the corresponding BO result, where the compensation holds for an arbitrary nuclear wave packet on a single BO potential surface.
Fields of Study & Subjects
Quantum and Classical Electrodynamics
Quantum Mechanics and Non-Hermitian Physics
Atomic and Molecular Physics
Publication details
- Journal / source
- Journal of Chemical Theory and Computation
- Volume
- 22
- Issue
- 8
- Pages
- 3796–3809
- Publication date
- 15 April 2026
- Language
- EN