Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adtm_v1_0.tar.gz(15 Kbytes)|
|Manuscript Title: A program for generating configuration state lists in many-electron atoms.|
|Authors: P. Bogdanovich, A. Momkauskaite|
|Program title: ATOTERM|
|Catalogue identifier: ADTM_v1_0|
Distribution format: tar.gz
|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.|
Nature of problem:
Generating the list of configuration states with taking into account multiple additional constraints of different types.
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.
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.
Possibility to select configuration states.
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.
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