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Computation of Rotation Matrices Making Lined‐Up to the Local Cartesian Coordinates
Author(s) -
Yakar Yusuf,
Özmen Ayhan,
ÇLakir Bekir,
Yüksel Hüseyin
Publication year - 2007
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.200700163
Subject(s) - spherical harmonics , spin weighted spherical harmonics , rotation (mathematics) , solid harmonics , computation , cartesian coordinate system , harmonics , zonal spherical harmonics , binomial coefficient , vector spherical harmonics , spherical coordinate system , chemistry , gaussian binomial coefficient , rotation matrix , mathematical analysis , computational physics , geometry , mathematics , quantum mechanics , algorithm , physics , combinatorics , statistics , negative binomial distribution , voltage , poisson distribution
Rotation matrices were expressed in terms of Gaunt coefficients and complex spherical harmonics. The rotation matrices were calculated using two different ways. In the first, Gaunt coefficients and normalized complex spherical harmonics were directly calculated using binomial coefficients; in the second, Gaunt coefficients and complex spherical harmonics were recursively calculated. The methods were compared with respect to accuracy and computation time (CPU) for low and very high quantum numbers.