On three-dimensional rotational averages

Andrews, D. L. and Thirunamachandran, T. (1977) On three-dimensional rotational averages. The Journal of Chemical Physics, 67 (11). pp. 5026-5033. ISSN 0021-9606

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In theories which describe the response of freely rotating molecules to externally imposed stimuli it is frequently necessary to average rotationally a product of direction cosines relating space‐fixed and molecular coordinate frames. In this paper a systematic method for deriving the required tensor averages is presented, and results up to the seventh rank are explicitly shown. Where appropriate both reducible and irreducible expressions are given and their equivalence is demonstrated. Finally, some useful identities relating rotational averages of different ranks are noted.

Item Type: Article
Faculty \ School: Faculty of Science > School of Chemistry
UEA Research Groups: Faculty of Science > Research Groups > Physical and Analytical Chemistry (former - to 2017)
Faculty of Science > Research Groups > Chemistry of Light and Energy
Faculty of Science > Research Groups > Centre for Photonics and Quantum Science
Depositing User: Pure Connector
Date Deposited: 18 Jan 2016 16:01
Last Modified: 09 Feb 2023 13:41
URI: https://ueaeprints.uea.ac.uk/id/eprint/56436
DOI: 10.1063/1.434725


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