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Manuscript Title: A new program for calculating matrix elements of one-particle operators in jj-coupling.
Authors: N.C. Pyper, I.P. Grant, N. Beatham
Program title: ONE-PARTICLE OPS IN JJ-COUPLING
Catalogue identifier: ACYM_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 15(1978)387
Programming language: Fortran.
Computer: IBM 360/195.
Operating system: OS/360, HASP.
RAM: 80K words
Word size: 8
Keywords: General purpose, Rotation group, Multipole operator, Open shell, Jj-coupling.
Classification: 4.1.

Subprograms used:
Cat Id Title Reference
AAGD_v2_0 A NEW VERSION OF NJSYM CPC 8(1974)151
ACRI_v1_0 CFPJJ-CFP IN JJ-COUPLING CPC 4(1972)377
ACWE_v1_0 MCP75 CPC 11(1976)397

Other versions:
Cat Id Title Reference
AAAD_v1_0 RDMEJJ CPC 7(1974)225

Nature of problem:
Calculation of the matrix elements of one-particle tensor operators occuring in atomic and nuclear theory between configuration state functions representing states containing any number of open shells in jj-coupling. The program calculates the angular part of these matrix elements.

Solution method:
The program is essentially a new version of RDMEJJ, written by J.J. Chang. The aims of this version are to eliminate inconsistencies from RDEMJJ, to modify its input requirementsfor consistency with MCP75, and to modify its output so that it can be stored in a discfile for access by other compatible programs.

Restrictions:
The program assumes that the configurational states are built from a common orthonormal set of basis orbitals. The number of electrons in a shell having j>= 9/2 is restricted to be not greater than 2 by the available CFP routines. The present version allows up to 40 orbitals and 50 configurational states with <= 10 open shells; these numbers can be changed by recompiling with modified COMMON/DIMENSION statements. The user should ensure that the CPC library subprograms AAGD, ACRI incorporate all current updates and have been converted to use double precision floating point arithmetic.