arXiv:2511.05794v1 Announce Type: new
Abstract: We propose new mixed quantum-classical equations of motion within the exact factorization framework to describe electronic coherence and phase evolution simultaneously. The derivation reveals that not only a projected quantum momentum correction, recently identified by Arribas and Maitra [Phys. Rev. Lett. 133, 233201 (2024)], but also a phase-correction appears within the order of $hbar$, providing a unified and rigorous account of electronic coherence and phase evolution as well as their effect on the nuclear force. Benchmark tests on one- and two-dimensional model systems demonstrate that the new formulations capture key nonadiabatic features with high accuracy.