Work

Exact-Factorization Framework for Electron–Nuclear Dynamics in Electromagnetic Fields

Year: 2026

Type: article

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.

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c02174

Authors: Vladimir U. Nazarov, E. K. U. Gross

Institutions: Hebrew University of Jerusalem, Fritz Haber Institute of the Max Planck Society

Language: English

Topic: Laser-Matter Interactions and Applications

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,500

Funders: European Commission, Deutsche Forschungsgemeinschaft, HORIZON EUROPE European Research Council