Hartree-Fock-Dirac Application

Entered: Wed Nov 10 2010

Operating systems: MS Windows

Type: Binary

Languages: Fortran; Pascal

Distribution: Free

Application fields:

Bibliography:

Description: Scattering, Electron structure and X-ray scattering. Description: The program uses self-consistent field Hartree-Fock-Dirac method, the algorithm of which was developed by I. M. Band (Leningrad Institute of Nuclear Physics) and allows: 1) to calculate electron densities of the atoms with any electron configuration and their energy spectra 2) to visualize the electron densities calculated 3) to compute atomic scattering functions for X-rays;

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Last updated: 09 May 2011