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On three-dimensional rotational averages

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Andrews, D. L., Thirunamachandran, T.·1977·The Journal of Chemical Physics

Abstract

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.

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Metadata

Authors
Andrews, D. L., & Thirunamachandran, T.
Venue
The Journal of Chemical Physics
Published
1977-12-01
Volume
67
Issue
11
Pages
5026-5033
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
OpenAlex
W2020350740
Cited by
321
References
0
FWCI
3.85
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: On three-dimensional rotational averages. https://app.cochat.ai/papers/10.1063/1.434725
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Andrews, D. L., & Thirunamachandran, T. (1977). On three-dimensional rotational averages. The Journal of Chemical Physics. https://doi.org/10.1063/1.434725

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Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.