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Manuscript Title: A program to calculate angular momentum coefficients in relativistic atomic structure - revised version.
Authors: I.P. Grant
Program title: MCP75
Catalogue identifier: ACWE_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 11(1976)397
Programming language: Fortran.
Computer: IBM 360/195.
Operating system: OS/360, HASP.
RAM: 102K words
Word size: 8
Keywords: Atomic physics, Racah, Configuration Interaction, Fractional parentage, Recoupling coefficients, Slater integrals, Complex atoms, Relativistic, Dirac equation, Jj-coupling, Theoretical methods.
Classification: 2.9.

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

Other versions:
Cat Id Title Reference
ACRJ_v1_0 MCP CPC 5(1973)263

Revision history:
Type Tit le Reference
correction 000A CORRECTION 29/09/77 See below

Nature of problem:
Many calculations of atomic properties require the use of a multiconfiguration description of the wave function. The present program MCP75, constituting an adaptation of the original version of MCP to use double-precision floating-point arithmetic on IBM machines together with corrections and modifications, expresses the matrix elements of the interelectronic Coulomb repulsion between jj-coupled configuration wave functions constructed using Dirac central field single electron orbitals in terms of a linear combination of relativistic Slater integrals. The coefficients of this combination are computed by the program in a form suitable for use in multiconfiguration Dirac-Fock programs such as those of Desclaux or Grant, Mayers & Pyper and in similar applications.

Solution method:
Configurational states are defined by the number of electrons in each occupied shell, the quantum numbers (nja) or (nk) for each such shell, and angular momenta specifying the coupling scheme. For details, see (C.P.C. 5(1973)263).

Restrictions:
The program assumes that both configurations are formed from the same 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 10 orbitals and 30 configurational states together with 100 coefficients but these numbers can be changed by the user. The user should ensure that the CPC Library Suprograms AAGD, ACRI have been converted to use double precision floating point arithmetic before running with MCP75.

CORRECTION SUMMARY
Manuscript Title: A program to calculate angular momentum coefficients in relativistic atomic structure - revised version. (C.P.C. 11(1976)397).
Authors: I.P. Grant
Program title: 000A CORRECTION 29/09/77
Catalogue identifier: ACWE_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 14(1978)311
Classification: 2.9.