{'fraction_non_alphanumeric': 0.048484848484848485, 'fraction_numerical': 0.03636363636363636, 'mean_word_length': 5.020833333333333, '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}}
Semiclassical initial value representation: From Møller to Miller.

The initial value representation (IVR) was proposed five decades ago by Miller [J. Chem. Phys. 53, 3578 (1970)] in order to improve the feasibility and accuracy of semiclassical (SC) scattering calculations. Møller operators, which play a fundamental role in quantum scattering theory, do not appear in his formulation based on action-angle coordinates. These operators were introduced much later by Garashchuk and Light [J. Chem. Phys. 114, 1060 (2001)] in SC-IVR calculations performed in Cartesian coordinates within the Tannor and Weeks [J. Chem. Phys. 98, 3884 (1993)] formulation of quantum scattering theory. Remarkably, Møller operators were found to boost the numerical efficiency of SC-IVR calculations. The purpose of this work is to show within a simple model of light-induced rotational transitions that, in fact, Møller operators were already underlying Miller's pioneering formulation. In line with the results of Garashchuk and Light [J. Chem. Phys. 114, 1060 (2001)], removing the action of these operators in Miller's theory strongly decreases its numerical efficiency.