Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] acym_v1_0.gz(14 Kbytes)|
|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.|
|AAGD_v2_0||A NEW VERSION OF NJSYM||CPC 8(1974)151|
|ACRI_v1_0||CFPJJ-CFP IN JJ-COUPLING||CPC 4(1972)377|
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.
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.
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.
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