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Manuscript Title: A configuration interaction program.
Authors: C.F. Fischer
Program title: MCHF_CI
Catalogue identifier: ABZZ_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 64(1991)473
Programming language: Fortran.
Computer: VAX 11/780.
Operating system: VMS, Sun UNIX.
RAM: 181K words
Word size: 32
Peripherals: disc.
Keywords: Atomic physics, Structure, Configuration Interaction, Energy levels, Ls terms, Correlation, Relativistic shift, Lsj fine-structure Splitting, Mass polarization, Complex atoms, Functions wave, Bound states.
Classification: 2.1.

Subprograms used:
Cat Id Title Reference
ABZU_v1_0 MCHF_LIBRARIES CPC 64(1991)399

Nature of problem:
This program is part of the MCHF atomic structure package [1] for bound state systems and computes energy levels in either the LS or LSJ scheme. A number of effects may be included.

Solution method:
Given a configuration state list, a set of radial functions, the program sets up an interaction matrix for either the non-relativistic hamiltonian or Breit-Pauli interaction matrices for a series of J- values. Information defining the interaction matrix must be provided in the file INT.LST. Mass-polarization may also be included [2]. The user may specify an approximate number of eigenvalues that are of interest.

Restrictions:
The dimensions of the atomic structure package restrict the number of configuration states to 200, but these can readily be changed.

Unusual features:
A zero-order approximation may be installed for very large cases where not all of the interaction matrix has been defined in INT.LST.

Running time:
The CPU time required for the test run is 0.6 seconds for the first case and 131.7 seconds for the second on a SUN 3/160 with a floating point board.

References:
[1] C. Froese Fischer, Computer Phys. Commun. 64(1991)369
[2] C. Froese Fischer, L. Smentek-Mielczarek, J. Phys. B: At. Mol. Phys. 16(1983)3479.