Electronic non-adiabatic transitions: the line integral and approximations

摘要

In this Letter is considered a reduced molecular manifold which is weakly coupled to several external states. It is shown, that if these couplings are of the order of epsilon, the adiabatic-to-diabatic transformation matrix A(s), as obtained by solving the line integral within the reduced manifold, as well as the corresponding diabatic potentials are perturbed to the extent of O(epsilon (2)). (C) 2001 Elsevier Science B.V. All rights reserved. [References: 19]