Breakdown of odd-harmonic rule in the high harmonic generation spectra of the hydrogen molecular ion

Abstract

We numerically solve the fully-dimensional electronic time-dependent Schrödinger equation for an molecular ion. The occurrence of electron localization is investigated to better understand the complex patterns appearing in the high-order harmonic generation (HHG) spectrum. Our studies show that changing trends of electronic acceleration are affected by electron localization at large enough internuclear distances. This effect leads to the complex patterns in the HHG spectrum.