Title of article :
Revised and extended Utilities for the Ratip package Original Research Article
Author/Authors :
J. Nikkinen، نويسنده , , S. Fritzsche، نويسنده , , S. Hein?sm?ki، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2006
Pages :
11
From page :
348
To page :
358
Abstract :
During the last years, the Ratip package has been found useful for calculating the excitation and decay properties of free atoms. Based on the (relativistic) multiconfiguration Dirac–Fock method, this program is used to obtain accurate predictions of atomic properties and to analyze many recent experiments. The daily work with this package made an extension of its Utilities [S. Fritzsche, Comput. Phys. Comm. 141 (2001) 163] desirable in order to facilitate the data handling and interpretation of complex spectra. For this purpose, we make available an enlarged version of the Utilities which mainly supports the comparison with experiment as well as large Auger computations. Altogether 13 additional tasks have been appended to the program together with a new menu structure to improve the interactive control of the program.
Keywords :
Interpretation of complex spectra , File handling , Grid , Momentum density , Mixing coefficient , Multipole , Atomic properties , Configuration symmetry , Atomic structure calculations , Auger decay , Auger rates and angular distributions , Relativistic computations , Utilities , MCDF method , Interaction strength
Journal title :
Computer Physics Communications
Serial Year :
2006
Journal title :
Computer Physics Communications
Record number :
1137096
Link To Document :
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