Revised Born-Oppenheimer approach and a multielectron reprojection method for inelastic collisions

TL;DR

This paper introduces a revised Born-Oppenheimer approach with a multielectron reprojection method that accurately models inelastic collisions, overcoming limitations of the standard approach in complex multielectron systems.

Contribution

The paper develops a new quantum reprojection method that accounts for nonadiabatic couplings and asymptotic currents, improving the reliability of collision calculations.

Findings

Successfully applied to Li+Na collisions, resolving paradoxes of infinite cross sections.

Provides physically consistent results for multielectron inelastic collision systems.

Enhances the accuracy of quantum collision models beyond traditional methods.

Abstract

The quantum reprojection method within the standard adiabatic Born-Oppenheimer approach is derived for multielectron collision systems. The method takes nonvanishing asymptotic nonadiabatic couplings into account and distinguishes asymptotic currents in molecular state and in atomic state channels, leading to physically consistent and reliable results. The method is demonstrated for the example of low-energy inelastic Li+Na collisions, for which the conventional application of the standard adiabatic Born-Oppenheimer approach fails and leads to paradoxes such as infinite inelastic cross sections.