ArticleJournal of chemical theory and computation2026
Exact-Factorization Framework for Electron-Nuclear Dynamics in Electromagnetic Fields.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The Exact Factorization (EF) theory aims at the separation of the nuclear and electronic degrees of freedom in the many-body (MB) quantum mechanical problem. Being formally equivalent to the solution of the MB Schrödinger equation, EF sets up a strategy for the construction of efficient approximations in the theory of the correlated electronic-nuclear motion. Here we extend the EF formalism to incorporate the case of a system under the action of electromagnetic fields. An important interplay between the physical magnetic and the Berry curvature fields is revealed and discussed within the fully nonadiabatic theory. In particular, it is a previously known property of the Born-Oppenheimer (BO) approximation that, for a neutral atom in a uniform magnetic field, the latter is compensated by the Berry curvature field in the nuclear equation of motion (Yin and Mead,
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