Augmenting Gaussian-type orbitals with correct exponential Slater tails improves theoretical photoelectron angular distributions for O2- and NO- to better match experiment, though NO- vibrational discrepancies persist and are attributed to Born-Oppenheimer or frozen-orbital limitations.
Wang, Perspective: Electrospray photoelectron spectroscopy: From multiply -charged anions to ultracold anions, J
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Correct Asymptotic Wavefunctions for Calculating Photoelectron Angular Distributions of O2- and NO-
Augmenting Gaussian-type orbitals with correct exponential Slater tails improves theoretical photoelectron angular distributions for O2- and NO- to better match experiment, though NO- vibrational discrepancies persist and are attributed to Born-Oppenheimer or frozen-orbital limitations.