Title of article
Single configuration Dirac-Fock atom code Original Research Article
Author/Authors
A.L. Ankudinov، نويسنده , , S.I. Zabinsky، نويسنده , , J.J. Rehr، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 1996
Pages
6
From page
359
To page
364
Abstract
A single configuration version of the multiconfigurational Dirac-Fock atomic code of Desclaux has been developed into an automated FORTRAN 77 subroutine, requiring only the atomic number as input. The output contains energies, wavefunctions, densities and other data similar to that in atomic structure tables.
Keywords
atomic structure , eigenvalues , Self-consistent field , Dirac-Fock , Wavefunctions
Journal title
Computer Physics Communications
Serial Year
1996
Journal title
Computer Physics Communications
Record number
1134232
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