Recursive evaluation of 3j and 6j coefficients
SchultenK.
GordonR.G.
2019
Title of program: J1-RECURSION OF 3J-COEFFICIENTS
Catalogue Id: ACWQ_v1_0
Nature of problem
Subroutine REC3JJ generates 3j-coefficients from the exact solution of a recursion equation. The algorithm is more efficient and accurate than those based on explicit expressions, particularly, in the commonly arising case in which a complete set of 3j-coefficients is needed. The algorithm is numerically stable for large quantum numbers which occur in problems of molecular dynamics.
Versions of this program held in the CPC repository in Mendeley Data
acwq_v1_0; J1-RECURSION OF 3J-COEFFICIENTS; 10.1016/0010-4655(76)90058-8
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)