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Manuscript Title: Oscillator strengths from numerical MCHF radial functions.
Authors: C.F. Fischer, K.M.S. Saxena
Program title: GF VALUES
Catalogue identifier: ACRZ_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 9(1975)381
Programming language: Fortran.
Computer: IBM S360/75.
Operating system: HASP II.
RAM: 134K words
Word size: 8
Peripherals: disc.
Keywords: Atomic physics, Structure, Oscillator strengths, Length and velocity form, Gf values, Atomic transitions.
Classification: 2.1.

Subprograms used:
Cat Id Title Reference
ACRF_v1_0 MCHF72 CPC 4(1972)107
AAKP_v1_0 REDUCED TENSOR MATRIX ELEMENTS2 CPC 9(1975)370
ACQB_v1_0 P SHELL C.F.P. CPC 1(1969)15
ACQC_v2_0 A NEW D SHELL C.F.P. CPC 6(1973)88
AAGD_v2_0 A NEW VERSION OF NJSYM CPC 8(1974)151

Revision history:
Type Tit le Reference
adaptation 0001 QUADRUPOLE TRANSITIONS See below
correction A00ACORRECTION TO 0001 01/03/79 See below
correction A00BCORRECTION TO 0001 26/02/86 See below

Nature of problem:
The program computes gf values for transitions using results from MCHf72 to define the initial and final states. A modified version of Robb's TENSOR program provides some additional input data for the calculation. Both length and velocity forms are computed.

Solution method:
Since the radial functions are given in tabular form, all integrals are evaluated numerically. Simpson's rule is used for the transition integral of the length form, but a special formula was derived for the velocity form, so that the numerical procedure would preserve the symmetry property of the integral.

Restrictions:
The dimensions of the program allow up to 50 radial functions in the initial and/or final state combined, and up to 30 configurations in each of the initial and final states. These can readily be changed.

Running time:
The CPU time required for the two sets of calculations mentioned in the test run was 1.8 s on the IBM System 360/75.

ADAPTATION SUMMARY
Manuscript Title: An adaptation of ACRZ to calculate electric quadrupole oscillator strengths.
Authors: M. Godefroid
Program title: 0001 QUADRUPOLE TRANSITIONS
Catalogue identifier: ACRZ_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 15(1978)275
Programming language: Fortran.
Computer: CDC 6600.
Operating system: NOS 1.0.
RAM: 45K words
Word size: 60
Classification: 2.1.

Subprograms used:
Cat Id Title Reference
ACRF_v1_0 MCHF72 CPC 4(1972)107
AAKP_v1_0 REDUCED TENSOR MATRIX ELEMENTS 2 CPC 9(1975)370
ACQB_v1_0 P SHELL C.F.P. CPC 1(1969)15
ACRN_v1_0 A NEW D SHELL C.F.P. CPC 6(1973)88
AAHD_v1_0 A NEW VERSION OF NJSYM CPC 8(1974)151

Nature of problem:
The adaptation allows the calculation of quadrupole electric oscillator strengths using results from MCHF72. The program REDUCED TENSOR MATRIX ELEMENTS 2 oF C. Froese Fischer and K.M.S. Saxena provides some additional input data for the calculation (the addition of 2 cards to this program allows the order chi of the tensor to be punched out). The first two forms of the hypervirial theorem are computed.

Solution method:
The radial functions are given in tabular form and the integrals are evaluated numerically. Simpson's rule is used for the first form of the hypervirial theorem as in the dipole case x=1 and we have applied the special formula already derived for the velocity form of the dipole operator to the quadrupole operator.

Restrictions:
The restrictions concerning the dimensions of the arrays and the inclusion of maximum three overlap integrals (appearing due to the non-orthogonality between the orbitals of initial and final states) are the same as those in the original program.

Running time:
The CPU time required for the calculations of the test run is 1.88 s on the CDC 6600 system.

CORRECTION SUMMARY
Manuscript Title: An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. (C.P.C. 15(1978)275).
Authors: M. Godefroid
Program title: A00ACORRECTION TO 0001 01/03/79
Catalogue identifier: ACRZ_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 17(1979)426
Classification: 2.1.

CORRECTION SUMMARY
Manuscript Title: An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. (C.P.C. 15(1978)275).
Authors: M. Godefroid
Program title: A00BCORRECTION TO 0001 26/02/86
Catalogue identifier: ACRZ_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 41(1986)195
Classification: 2.1.