Data for "Electron-nuclear energy sharing in attosecond photoionization of the dissociative hydrogen molecular ion"

We systematically investigate the attosecond joint energy spectra (JESs) of the dissociative wave packet of hydrogen molecular ion by numerically solving the time-dependent Schrödinger equation (TDSE). The dissociative wave packet, ionized by a single attosecond extreme-ultraviolet pulse with a variable time delay, produces time-resolved JESs that exhibit splitting and distorted structures, encoding rich information on ultrafast molecular dynamics. Interestingly, variations in the slopes of the energy-sharing lines in the JESs are observed, in contrast to the ground-state scenario where the slope is -1. The origin of the slope variations is well explained by an analytical model combined with the Wentzel–Kramers–Brillouin (WKB) approximation, and is attributed to the dispersion relation of the dissociative nuclear wave packet. Based on these findings, we propose a novel method for imaging the molecular potential energy curves, which remains robust even when the JESs are distorted by two-center interference.