Elimination of asymptotic couplings in atomic and molecular dynamics

Abstract

The present work focuses on practical questions that inevitably arise on the topic of the elimination of asymptotic couplings in the treatment of electronic transitions in atomic and molecular dynamics. This includes the explicit form of the correction terms, the equivalence of ab initio approaches and their ease of implementation, as well as their indeterminacy and physical adequacy. Some related topics, such as Galilean invariance and high-v failure of molecular close-coupling expansions, are also discussed.