Valence Compton profiles and momentum expectation values for some small and medium-sized molecules are calculated and analysed using Fourier transformed wavefunctions obtained by means of the semi-empirical (iterative) extended Huckel, CNDO/2 and INDO methods. Particular attention is paid to the alleged insensitivity of the molecular profile, and the question of bond profile transferability is briefly discussed in an INDO localized picture.
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Ahlenius et al. (1975) studied this question.
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