Simulating the HeI photoelectron spectrum of Cl₂O with new full-dimensional adiabatic potential energy surfaces of Cl₂O(X̃¹A₁), Cl₂O⁺(X̃²B₁), and Cl₂O⁺(C̃²A₂) and a three-state diabatic potential energy matrix of Cl₂O⁺(òB₂, B̃²A₁, and 2²A₁): a quantum mechanical study

Abstract

To interpret the HeI photoelectron spectrum of Cl2O (involving four lowest electronic states of Cl2O+), in this work we first constructed the associated adiabatic full-dimensional potential energy surfaces (PESs) of...