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[Licence| Download | New Version Template] adqu_v1_0.tar.gz(32 Kbytes)
Manuscript Title: Complex-scaled Hartree-Fock wave functions for the frozen core: A B spline approach.
Authors: L.A.A. Nikolopoulos, L.B. Madsen
Program title: cshf1e
Catalogue identifier: ADQU_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 151(2003)47
Programming language: Fortran.
Computer: IBM, SUN, PCs.
Keywords: Hartree-Fock, Radial wave functions, Complex scaling, B-splines, Atomic physics, Structure.
Classification: 2.1.

Nature of problem:
The need for accurate valence electron orbitals in calculating multiply excited states.

Solution method:
Construction of the complex scaled radial wave function in the Hartree-Fock approach.

Unusual features:
The program uses the NAG library and the publicly available LAPACK, BLAS and SLATEC libraries.