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Manuscript Title: Programs for the coupling of spherical harmonics. | ||

Authors: E.J. Weniger, E.O. Steinborn | ||

Program title: YLM-COUPLING | ||

Catalogue identifier: AARL_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 25(1982)149 | ||

Programming language: Fortran. | ||

Computer: TR 440. | ||

Operating system: BS3 MV 19. | ||

RAM: 12K words | ||

Word size: 48 | ||

Keywords: General purpose, Function, Spherical harmonics, Gaunt coefficient, Condon-shortley Coefficient, Coupling of two orbital Angular momenta. | ||

Classification: 4.7. | ||

Nature of problem:The subroutines GAUNT and RECYLM allow the linearization of the product of two spherical harmonics. The summation limits are determined by certain selection rules for the GAUNT coefficients. | ||

Solution method:The subroutine GAUNT computes a whole string of Gaunt coefficients <l3m3|l2m2|l1m3-m2> for all allowed l1 values (l2,m2,l3 and m3 are mixed input quantities) using their representation in terms of 3jm-symbols. The 3jm-symbols are computed using a homogeneous 3-term recurrence relation derived by Schulten and Gordon. The computational algorithm used is apart from certain modifications the same as that developed by Schulten and Gordon. The subroutine RECYLM computes a string of spherical harmonics Ylm for all l with lmin = |m| <= l <= lmax (m and lmax are input quantities) recursively using their homogeneous 3-term recurrence relation in l. Both programs use DOUBLE PRECISION arithmetic for floating point numbers. | ||

Unusual features:In order to avoid complex arithmetic the azimuth angle theta is set to equal to zero, i.e. RECYLM calculates a string of spherical harmonics Ylm(theta,0). In order to prevent overflow or underflow two DOUBLE PRECISION variables HUGE and TINY have to be defined. | ||

Running time:Approximately 1 ms per Gaunt coefficient for the string < 15 0|15 0| l 0>, approx. 3 ms for the string <15 15|15 15|l 0> and approx. 4.5 ms for the string <8 -5|10 7|l-12>. Approximately 1.3 ms per spherical harmonic for the string Ylo, 0<= l<= 15, and approx. 1.5 ms for the string Yl**-2,2<= l<= 5. To make these absolute numbers comparable: On the TR 440 one evaluation of DSQRT requires approx. 0.43 ms. |

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