In this article, one of the more important dilemmas in molecular physics is considered: given
a matrix of the nonadiabatic coupling terms of any desired dimension, what is the minimal …

We present a method for properly treating collinear conical intersections in triatomic
systems. The general vector potential (gauge theory) approach for including the geometric …

In this article the authors relate the possibility that an intense electric field affects topological
features of a molecular system. For this purpose they studied a model based on the Mathieu …

Predissociation of the short-lived 3 2 A'(2sa'1) state of D 3 and H 3 is studied by three-
dimensional wave packet dynamics on the pair of coupled ground state potential energy …

This Letter is part of an effort to use the Curl equations to calculate non-adiabatic coupling
terms, subject to ab initio boundary conditions. As examples we consider two-state, planar …

Abstract The Curl equations (Baer, M. Chem Phys Lett 1975, 35, 112) are applied to
calculate the nonadiabatic coupling terms, τij, subject to ab initio boundary conditions. As an …

This chapter deals with the early contributions to the theory of geometric phase and non‐
adiabatic coupling thus providing us with an historical perspective to the field. The seminal …

We present the ability to coherently control triatomic chemical reactions with pulsed-laser
techniques. We show that one can control the final state probability distribution of triatomic …

We provide a perspective on several issues of the adiabatic approximation to the
fundamental equation of quantum chemistry as suggested by Born and Oppenheimer …

Born et Oppenheimer [8] en 1927 proposent de séparer l'Hamiltonien moléculaire en
Hamiltonien électronique et opérateur d'énergie cinétique nucléaire. Apparait alors …