Computer Physics Communications Program Library

Programs in Physics & Physical Chemistry

PROGRAM SUMMARY

Manuscript Title: A program for generating configuration state lists in many-electron atoms.
Authors: P. Bogdanovich, A. Momkauskaite
Program title: ATOTERM
Catalogue identifier: ADTM
Journal reference: Comput. Phys. Commun. 157(2004)217
Programming language: Fortran 77.
Computer: Any with a Fortran 77 compiler.
Operating system: Linux.
RAM: 1M words
Keywords: Complex atom, Configuration interaction, Configuration state, LS-coupling, Atomic physics, Structure.
Classification: 2.1.
Nature of problem: Generating the list of configuration states with taking into account multiple additional constraints of different types.
Solution method: Building the configuration state list for the set of the given configurations with further selection of necessary configuration states by applying a set of restrictions on each configuration.
Restrictions: For atomic configurations containing any electron shells with λ <= 3 momenta of the electron shells with λ > 3 and N <= 2 is restricted by L _max = 6. The number of the active shells can not exceed seven.
Unusual features: Possibility to select configuration states.
Running time: Seconds to minutes. Depends on the size of the problem: of the order of seconds for simple configurations to minutes for a large set of very complex admixed configurations with f-electron shells.