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A program to evaluate the reduced matrix elements of summations of one-particle tensor operators
C-214 COMPUTER PHYSICS COMMUNICATION 6 (1973) 132-148. NORTH-HOLLAND PUBLISHING COMPANY
A PROGRAM TO EVALUATE THE REDUCED MATRIX ELEMENTS OF SUMMATIONS OF ONE-PARTICLE TENSOR OPERATORS W.D. ROBB Joint Institute for Laboratory Astrophysics, University of Colorado, BOULDER, Colorado 80302, USA
Received 10 October 1972
PROGRAM SUMMARY Title of program : REDUCED TENSOR MATRIX ELEMENTS
Keywords: Atomic, nuclear, transitions, electric multipole, magnetic multipole.
Catalogue number : AAKF Nature of the physical problem Computer:
Installation:
ICL 1907 CDC 6600 IBM 360/75
Queen's University, Belfast University of London, England Centre Europ~en de Calcul Atomique et Mol~culaire, 91-Campus d'Orsay, France
Operating system : GEORGE II
The calculation of many nuclear and atomic properties depends on the evaluation of matrix elements of summations of one-particle tensor operators. The program TENSOR enables one to calculate such matrix elements of any spin-dependent or spin-independent oneparticle tensor operator, between arbitrarily coupled L - S configurations.
Programming languages used : FORTRAN
Method of solution
Overlay structure : None
The no'ration, and phase convention, of Fano [ 1 ] is used to obtain programmable expressions for the matrix element in terms of spin and orbital recoupling coefficients and coefficients of fractional parentage. However the results produced by the program axe independent of the phase convention adopted for the tensor operator.
Other peripherals used : Card reader, line printer
Restrictions on the complexity of the program
High speed store required: 21056 words No. ofbits per word: 24
No. of cards in combined program and test deck: 1094
The program assumes that both configurations axe formed from the same orthonormal set of basis orbitals, and that the angular momenta of the shells in each configuration are coupled successively. Further we are restricted by the available fractional parentage routines to p- and d-shells and at most two particles in higher shells. However this restriction can be removed by the introduction of appropriate f-, g-shell etc. fractional parantage routines.
CPC Library subprograms used: Catalogue numbers Titles
Refs. in CPC
ACQB ACRN
P SHELL CFP A NEW D SHELL CFP NJSYM ADAPT NJSYM
1 (1969) 15 6 (1973) 88 1 (1970) 241
For the test data provided the program required 57 sec of ICL 1907 CPU time for execution.
FOR WEIGHTS
2 (1971) 180
Reference
AAGD AAGDOOO 1
Typical running time
[1] U. Fano, Phys. Rev., 140 (1965) 67.
A PROGRAM TO EVALUATE THE REDUCED MATRIX ELEMENTS OF SUMMATIONS OF ONE-PARTICLE TENSOR OPERATORS W.D. ROBB Joint Institute for Laboratory Astrophysics, University of Colorado, BOULDER, Colorado 80302, USA
Received 10 October 1972
PROGRAM SUMMARY Title of program : REDUCED TENSOR MATRIX ELEMENTS
Keywords: Atomic, nuclear, transitions, electric multipole, magnetic multipole.
Catalogue number : AAKF Nature of the physical problem Computer:
Installation:
ICL 1907 CDC 6600 IBM 360/75
Queen's University, Belfast University of London, England Centre Europ~en de Calcul Atomique et Mol~culaire, 91-Campus d'Orsay, France
Operating system : GEORGE II
The calculation of many nuclear and atomic properties depends on the evaluation of matrix elements of summations of one-particle tensor operators. The program TENSOR enables one to calculate such matrix elements of any spin-dependent or spin-independent oneparticle tensor operator, between arbitrarily coupled L - S configurations.
Programming languages used : FORTRAN
Method of solution
Overlay structure : None
The no'ration, and phase convention, of Fano [ 1 ] is used to obtain programmable expressions for the matrix element in terms of spin and orbital recoupling coefficients and coefficients of fractional parentage. However the results produced by the program axe independent of the phase convention adopted for the tensor operator.
Other peripherals used : Card reader, line printer
Restrictions on the complexity of the program
High speed store required: 21056 words No. ofbits per word: 24
No. of cards in combined program and test deck: 1094
The program assumes that both configurations axe formed from the same orthonormal set of basis orbitals, and that the angular momenta of the shells in each configuration are coupled successively. Further we are restricted by the available fractional parentage routines to p- and d-shells and at most two particles in higher shells. However this restriction can be removed by the introduction of appropriate f-, g-shell etc. fractional parantage routines.
CPC Library subprograms used: Catalogue numbers Titles
Refs. in CPC
ACQB ACRN
P SHELL CFP A NEW D SHELL CFP NJSYM ADAPT NJSYM
1 (1969) 15 6 (1973) 88 1 (1970) 241
For the test data provided the program required 57 sec of ICL 1907 CPU time for execution.
FOR WEIGHTS
2 (1971) 180
Reference
AAGD AAGDOOO 1
Typical running time
[1] U. Fano, Phys. Rev., 140 (1965) 67.