{'fraction_non_alphanumeric': 0.02635431918008785, 'fraction_numerical': 0.008784773060029283, 'mean_word_length': 5.514285714285714, 'pattern_counts': {'":': 0, '<': 0, '<?xml version=': 0, '>': 0, 'https://': 0, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
Ab initio simulation of the spin transition during chemisorption: H/Al(111).

Electronically nonadiabatic effects during the chemisorption of hydrogen atoms on an Al(111) surface are simulated ab initio using time-dependent density-functional theory for the electrons in combination with Ehrenfest dynamics for the nuclei. Strongly nonadiabatic effects close to the spin transition of the H atom are identified, and the dissipated energy as well as the electron-hole pair excitation spectra are calculated. The recent Newns-Anderson-model approach by Mizielinski et al. is confirmed. The simulations illustrate the physical processes that contribute to internal exoelectron emission.