Theory of a new method of computing mean amplitudes of vibration and perpendicular amplitude correction coefficients |
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Authors: | S.J. Cyvin |
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Affiliation: | Institute of Theoretical Chemistry, The Technical University of Norway, N-7034 Trondheim-NTHNorway |
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Abstract: | ![]() Some theoretical aspects of the calculations of mean amplitudes of vibration (l) and perpendicular amplitude correction coefficients (K) are treated. A recipe for practical computations of the l and K values is given. In contrast to the conventional methods the proposed computation of K circumvents the calculation of mean-square perpendicular amplitudes. |
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