Rapid and Stable Determination of Rotation Matrices between Spherical Harmonics by Direct Recursion

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dc.contributor.author Choi, Cheol
dc.contributor.author Ivanic, Joseph
dc.contributor.author Gordon, Mark
dc.contributor.author Gordon, Mark
dc.contributor.author Ruedenberg, Klaus
dc.contributor.department Ames Laboratory
dc.contributor.department Chemistry
dc.date 2018-02-17T07:56:15.000
dc.date.accessioned 2020-06-30T01:19:32Z
dc.date.available 2020-06-30T01:19:32Z
dc.date.copyright Fri Jan 01 00:00:00 UTC 1999
dc.date.issued 1999-11-01
dc.description.abstract <p>Recurrence relations are derived for constructing rotation matrices between complex spherical harmonics directly as polynomials of the elements of the generating3×3 rotation matrix, bypassing the intermediary of any parameters such as Euler angles. The connection to the rotation matrices for real spherical harmonics is made explicit. The recurrence formulas furnish a simple, efficient, and numerically stable evaluation procedure for the real and complex representations of the rotation group. The advantages over the Wigner formulas are documented. The results are relevant for directing atomic orbitals as well as multipoles.</p>
dc.description.comments <p>The following article appeared in <em>Journal of Chemical Physics</em> 111 (1999), 8825, and may be found at doi:<a href="http://dx.doi.org/10.1063/1.480229" target="_blank">10.1063/1.480229</a>.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/chem_pubs/355/
dc.identifier.articleid 1363
dc.identifier.contextkey 7925236
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath chem_pubs/355
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/14805
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/chem_pubs/355/1999_Gordon_RapidStableDetermination.pdf|||Fri Jan 14 23:45:14 UTC 2022
dc.source.uri 10.1063/1.480229
dc.subject.disciplines Chemistry
dc.subject.keywords Polynomials
dc.subject.keywords Recurrence relations
dc.subject.keywords Second harmonic generation
dc.title Rapid and Stable Determination of Rotation Matrices between Spherical Harmonics by Direct Recursion
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isAuthorOfPublication 1a5927c0-5a5f-440e-86e0-9da8dc6afda0
relation.isOrgUnitOfPublication 25913818-6714-4be5-89a6-f70c8facdf7e
relation.isOrgUnitOfPublication 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11
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