The Exact Wavefunction Factorization of a Vibronic Coupling System
Quantum Physics
2015-06-17 v1 Chemical Physics
Abstract
We investigate the exact wavefunction as a single product of electronic and nuclear wavefunction for a model conical intersection system. Exact factorized spiky potentials and nodeless nuclear wavefunctions are found. The exact factorized potential preserves the symmetry breaking effect when the coupling mode is present. Additionally the nodeless wavefunctions are found to be closely related to the adiabatic nuclear eigenfunctions. This phenomenon holds even for the regime where the non-adiabatic coupling is relevant, and sheds light on the relation between the exact wavefunction factorization and the adiabatic approximation.
Cite
@article{arxiv.1311.4459,
title = {The Exact Wavefunction Factorization of a Vibronic Coupling System},
author = {Ying-Chih Chiang and Shachar Klaiman and Frank Otto and Lorenz S. Cederbaum},
journal= {arXiv preprint arXiv:1311.4459},
year = {2015}
}