*DECK RC3JJ SUBROUTINE RC3JJ (L2, L3, M2, M3, L1MIN, L1MAX, THRCOF, NDIM, IER) C***BEGIN PROLOGUE RC3JJ C***PURPOSE Evaluate the 3j symbol f(L1) = ( L1 L2 L3) C (-M2-M3 M2 M3) C for all allowed values of L1, the other parameters C being held fixed. C***LIBRARY SLATEC C***CATEGORY C19 C***TYPE SINGLE PRECISION (RC3JJ-S, DRC3JJ-D) C***KEYWORDS 3J COEFFICIENTS, 3J SYMBOLS, CLEBSCH-GORDAN COEFFICIENTS, C RACAH COEFFICIENTS, VECTOR ADDITION COEFFICIENTS, C WIGNER COEFFICIENTS C***AUTHOR Gordon, R. G., Harvard University C Schulten, K., Max Planck Institute C***DESCRIPTION C C *Usage: C C REAL L2, L3, M2, M3, L1MIN, L1MAX, THRCOF(NDIM) C INTEGER NDIM, IER C C CALL RC3JJ (L2, L3, M2, M3, L1MIN, L1MAX, THRCOF, NDIM, IER) C C *Arguments: C C L2 :IN Parameter in 3j symbol. C C L3 :IN Parameter in 3j symbol. C C M2 :IN Parameter in 3j symbol. C C M3 :IN Parameter in 3j symbol. C C L1MIN :OUT Smallest allowable L1 in 3j symbol. C C L1MAX :OUT Largest allowable L1 in 3j symbol. C C THRCOF :OUT Set of 3j coefficients generated by evaluating the C 3j symbol for all allowed values of L1. THRCOF(I) C will contain f(L1MIN+I-1), I=1,2,...,L1MAX+L1MIN+1. C C NDIM :IN Declared length of THRCOF in calling program. C C IER :OUT Error flag. C IER=0 No errors. C IER=1 Either L2.LT.ABS(M2) or L3.LT.ABS(M3). C IER=2 Either L2+ABS(M2) or L3+ABS(M3) non-integer. C IER=3 L1MAX-L1MIN not an integer. C IER=4 L1MAX less than L1MIN. C IER=5 NDIM less than L1MAX-L1MIN+1. C C *Description: C C Although conventionally the parameters of the vector addition C coefficients satisfy certain restrictions, such as being integers C or integers plus 1/2, the restrictions imposed on input to this C subroutine are somewhat weaker. See, for example, Section 27.9 of C Abramowitz and Stegun or Appendix C of Volume II of A. Messiah. C The restrictions imposed by this subroutine are C 1. L2 .GE. ABS(M2) and L3 .GE. ABS(M3); C 2. L2+ABS(M2) and L3+ABS(M3) must be integers; C 3. L1MAX-L1MIN must be a non-negative integer, where C L1MAX=L2+L3 and L1MIN=MAX(ABS(L2-L3),ABS(M2+M3)). C If the conventional restrictions are satisfied, then these C restrictions are met. C C The user should be cautious in using input parameters that do C not satisfy the conventional restrictions. For example, the C the subroutine produces values of C f(L1) = ( L1 2.5 5.8) C (-0.3 1.5 -1.2) C for L1=3.3,4.3,...,8.3 but none of the symmetry properties of the 3j C symbol, set forth on page 1056 of Messiah, is satisfied. C C The subroutine generates f(L1MIN), f(L1MIN+1), ..., f(L1MAX) C where L1MIN and L1MAX are defined above. The sequence f(L1) is C generated by a three-term recurrence algorithm with scaling to C control overflow. Both backward and forward recurrence are used to C maintain numerical stability. The two recurrence sequences are C matched at an interior point and are normalized from the unitary C property of 3j coefficients and Wigner's phase convention. C C The algorithm is suited to applications in which large quantum C numbers arise, such as in molecular dynamics. C C***REFERENCES 1. Abramowitz, M., and Stegun, I. A., Eds., Handbook C of Mathematical Functions with Formulas, Graphs C and Mathematical Tables, NBS Applied Mathematics C Series 55, June 1964 and subsequent printings. C 2. Messiah, Albert., Quantum Mechanics, Volume II, C North-Holland Publishing Company, 1963. C 3. Schulten, Klaus and Gordon, Roy G., Exact recursive C evaluation of 3j and 6j coefficients for quantum- C mechanical coupling of angular momenta, J Math C Phys, v 16, no. 10, October 1975, pp. 1961-1970. C 4. Schulten, Klaus and Gordon, Roy G., Semiclassical C approximations to 3j and 6j coefficients for C quantum-mechanical coupling of angular momenta, C J Math Phys, v 16, no. 10, October 1975, C pp. 1971-1988. C 5. Schulten, Klaus and Gordon, Roy G., Recursive C evaluation of 3j and 6j coefficients, Computer C Phys Comm, v 11, 1976, pp. 269-278. C***ROUTINES CALLED R1MACH, XERMSG C***REVISION HISTORY (YYMMDD) C 750101 DATE WRITTEN C 880515 SLATEC prologue added by G. C. Nielson, NBS; parameters C HUGE and TINY revised to depend on R1MACH. C 891229 Prologue description rewritten; other prologue sections C revised; LMATCH (location of match point for recurrences) C removed from argument list; argument IER changed to serve C only as an error flag (previously, in cases without error, C it returned the number of scalings); number of error codes C increased to provide more precise error information; C program comments revised; SLATEC error handler calls C introduced to enable printing of error messages to meet C SLATEC standards. These changes were done by D. W. Lozier, C M. A. McClain and J. M. Smith of the National Institute C of Standards and Technology, formerly NBS. C 910415 Mixed type expressions eliminated; variable C1 initialized; C description of THRCOF expanded. These changes were done by C D. W. Lozier. C***END PROLOGUE RC3JJ