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The acronym MCDFGME stands for
Multi Configuration Dirac
Fock and General Matrix
Element. This code was designed to be very versatile while
using numerical wave functions tabulated on a grid to compute total
energies and various other properties (see
present
status ). The Self Consistent Field equations are derived from
the Dirac-Breit operator (including, as an option, the full retardation in the electron-electron interaction). After
self-consistency has been achieved, total
energy is corrected for QED contributions (self-energy and vacuum polarization)
The limitations of the code
should, in principle, only arise from:
-
fundamental principle
(maximum nuclear charge, i.e. critical Z, ....)
-
lack of convergence of the
numerical methods
-
computer restrictions (memory available, disk storage, ...)
Atomic
structure should be interpreted in an extended sense since the code can handle
not only electrons but also more "exotic" particles like muons,
kaons, .... (with the restriction that only one "exotic" particle can be added
to the electrons). When the "exotic" particle is a Boson, the Klein
Gordon equation is solved instead of the Dirac equation.
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This page was last updated on 08/14/05
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