Single Photon Photoionization Dipole Moments of CO2

These are the calculation results for single photon dipole moments used in this work. These were calculated using the complex Kohn variational method, as described in the corresponding paper and supplemental materials.<br>the formatting of the .txt files is as follows: there are a series of entries that are 98 numbers in length.<br>The first value of an entry (0.54499 Hartree for the first entry) is the photon energy.The second value (1 for the first entry) is the channel for the entry, where channels 1 &amp; 2 are two degenerate channels for the X-Pi state, channels 3 &amp; 4 are two degenerate channels for the A-Pi state, channel 5 is the B-Sigma state, and channel 6 is the C-Sigma state.<br>The remaining 96 values are the X,Y, Z complex dipole moments for 16 partial waves. The 96 entries are broken up into 16 subsets of 6 entries, where each sub-set is written as real(X), imag(X), real(Y), imag(Y), real(Z), imag(Z). The subsets are then ordered in the following angular momenta values: (L=0, M=0), (L=1, M=-1), (L=1, M=0), (L=1, M=1), (L=2, M=-2), ...., (L=2, M=2), (L=3, M=-3) , ...., (L=3, M=3).<br>For example, entry 48 (out of 98) is the 46th entry in this subset grid, which makes it the imag(Z) component of the partial wave (L=2, M=1).<br>Finally, the ionization probabilities provided are for the basis set of real spherical harmonics (also referred to as tesseral spherical harmonics).