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Manuscript Title: A new version of a general program to calculate angular momentum integrals in atomic structure.
Authors: A. Hibbert
Program title: WEIGHTS NEW VERSION
Catalogue identifier: ACQL_v2_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 2(1971)180
Programming language: Fortran.
Computer: ICL 1907.
Operating system: QUBE.
RAM: 28K words
Word size: 24
Keywords: Atomic physics, Configuration Interaction, Racah, Coefficients of Fractional parentage, Recoupling coefficients, Slater integrals, Average energy, Complex atoms, Function wave, Bound states, Ls coupling, Theoretical methods.
Classification: 2.9.

Subprograms used:
Cat Id Title Reference
ACQB_v1_0 P SHELL C.F.P. CPC 1(1969)15
ACQC_v2_0 A NEW D SHELL CFP CPC 6(1973)88
AAGD_v2_0 A NEW VERSION OF NJSYM CPC 8(1974)151

Revision history:
Type Tit le Reference
correction 000A CORRECTION 22/05/73 See below
adaptation 0001ADAPT WEIGHTS FOR ONE PART See below
adaptation 0002ADAPT TO TEST CONFIG DATA See below
correction A00ACORRECTION TO 0001 15/06/77 See below

Nature of problem:
The purpose of the program is to express the matrix elements of the two-electron interaction of the Hamiltonian as a weighted sum of radial Slater integrals.

CORRECTION SUMMARY
Manuscript Title: A new version of a general program to calculate angular momentum integrals in atomic structure. (C.P.C. 2(1971)180).
Authors: A. Hibbert
Program title: 000A CORRECTION 22/05/73
Catalogue identifier: ACQL_v2_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 6(1973)59
Classification: 2.9.

ADAPTATION SUMMARY
Manuscript Title: Adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the one-electron part of the hamiltonian.
Authors: A. Hibbert
Program title: 0001ADAPT WEIGHTS FOR ONE PART
Catalogue identifier: ACQL_v2_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 7(1974)318
Programming language: Fortran.
Computer: ICL1906A.
Operating system: GEORGE 4.
RAM: 29K words
Word size: 24
Classification: 2.9.

Subprograms used:
Cat Id Title Reference
ACQB_v1_0 P SHELL CFP CPC 1(1969)15
ACRN_v1_0 A NEW D SHELL CFP CPC 6(1973)88
AAHD_v1_0 A NEW VERSION OF NJSYM CPC 8(1974)151

Nature of problem:
The adaptation allows the matrix elements of the full Hamiltonian to be expressed as weighted sums of radial integrals.

Solution method:
The coefficients of these integrals are expressed in terms of fractional parentage coefficients and recoupling coefficients, using the techniques of Racah algebra.

Running time:
The test run took 27 s on the ICL 1906A. The two electron part alone took 111 s on an ICL 1907. Since the former machine is 4-5 times faster than the latter, the additional one-electron part takes only a small proportion of the overall time.

ADAPTATION SUMMARY
Manuscript Title: Adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the checking of the configuration data.
Authors: A. Hibbert
Program title: 0002ADAPT TO TEST CONFIG DATA
Catalogue identifier: ACQL_v2_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 8(1974)329
Programming language: Fortran.
Computer: ICL 1906A.
Operating system: GEORGE 3.
RAM: 28K words
Word size: 24
Classification: 2.9.

Subprograms used:
Cat Id Title Reference
ACQB_v1_0 P SHELL C.F.P. CPC 1(1969)15
ACRN_v1_0 A NEW D SHELL CFP CPC 6(1973)88
AAHD_v1_0 A NEW VERSION OF NJSYM CPC 8(1974)151

Nature of problem:
To check the configuration input data for possible errors or inconsistencies.

CORRECTION SUMMARY
Manuscript Title: Unpublished correction to the adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the one-electon part of the hamiltonian.
Authors: A. Hibbert
Program title: A00ACORRECTION TO 0001 15/06/77
Catalogue identifier: ACQL_v2_0
Distribution format: gz
Classification: 2.9.