The Ratip program for relativistic calculations of atomic transition, ionization and recombination properties

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• 作者：S. Fritzsche^a ; ^b ; ^c ; ^{s.fritzsche@gsi.de}
• 关键词：Atomic ; Auger amplitudes and properties ; Dirac&ndash ; Coulomb&ndash ; Breit Hamiltonian ; Einstein coefficients ; Multiconfiguration Dirac&ndash ; Fock ; Photoionization amplitudes and cross sections ; Radiative and dielectronic recombination ; Transition probabili
• 刊名：Computer Physics Communications
• 出版年：2012
• 期刊代码：30_00104655
• 类别：cp
• 出版时间：July, 2012
• 卷：183
• 期：7
• 页码：1525-1559
• 文件大小：1095 K

摘要

During the past decade, the Ratip program has been developed to calculate the electronic structure and properties of atoms and ions. This code, which is now organized as a suite of programs, provides a powerful platform today to generate and evaluate atomic data for open-shell atoms, including level energies and energy shifts, transition probabilities, Auger parameters as well as a variety of excitation, ionization and recombination amplitudes and cross sections. Although the Ratip program focus on properties with just one electron within the continuum, recent emphasis was placed also on second-order processes as well as on the combination of different types of transition amplitudes in order to explore more complex spectra. Here, I present and discuss the (design of the) Ratip program and make available a major part of the code for public use. Selected examples show a few of its possible applications, while reference is made to a much wider range of computations as supported by the program. The Ratip program has been developed as a scalar Fortran 90/95 code and provides a simple make feature which help port the code to different platforms and architectures.

Program summary

Program title: Ratip

Catalogue identifier: AEMA_v1_0

Program summary URL:

Program obtainable from: CPC Program Library, Queen始s University, Belfast, N. Ireland

Licensing provisions: Standard CPC licence,

No. of lines in distributed program, including test data, etc.: 256鈥?62

No. of bytes in distributed program, including test data, etc.: 4鈥?75鈥?79

Distribution format: tar.gz

Programming language: ANSI standard Fortran 90/95 and subsequent developments

Computer: PCs and workstations

Operating system: Suse, Debian and Ubuntu Linux

RAM: Memory requirements strongly depend on the size of the bound-state wave functions, the property considered as well as the special features selected during the computations.

Word size: All real variables are parametrized by a selected kind parameter and, thus, can easily be adapted to any required precision as supported by the compiler. Presently, the kind parameter is set to double precision (two 32-bit words) in the module rabs_constant.

Classification: 2.1, 2.9

Cat Id   Title  Reference

ADCU_v1_0   Grasp92  CPC 94 (1996) 249