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
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
Journal title :
Computer Physics Communications
