The Ratip program for relativistic calculations of atomic transition,ionization and recombination properties |
| |
| Authors: | S. Fritzsche |
| |
| Affiliation: | 1. GSI Helmholtzzentrum für Schwerionenforschung, D-64291 Darmstadt, Germany;2. FIAS Frankfurt Institute for Advanced Studies, D-60438 Frankfurt am Main, Germany;3. Department of Physics, P.O. Box 3000, Fin-90014 University of Oulu, Finland;1. Hebei Key Lab of Optic-electronic Information and Materials, The College of Physics Science and Technology, Hebei University, Baoding 071002, China;2. Group for Materials Science and Applied Mathematics, Malmö University, SE-20506, Malmö, Sweden;3. Shanghai EBIT Lab, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China;4. Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;5. College of Science, National University of Defense Technology, Changsha 410073, China;6. School of Science, Hunan University of Technology, Zhuzhou 412007, China;1. Shanghai EBIT Lab, the Key Laboratory of Nuclear Physics and Ion-beam Application (MOE), Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China;2. Department of Computer Science, University of British Columbia, Vancouver, V6T 1Z4, Canada;3. Chimie Quantique et Photophysique, CP160/09, Université libre de Bruxelles, Av. F.D. Roosevelt 50, 1050 Brussels, Belgium;4. Hebei Key Lab of Optic-electronic Information and Materials, The College of Physics Science and Technology, Hebei University, Baoding 071002, China;5. Space Science Laboratory, University of California, Berkeley, CA 94720, USA;1. Chemistry Program, Centre College, Danville, KY 40422, USA;2. Department of Chemistry, Technion - Israel Institute of Technology, Haifa, 32000, Israel;3. School of Chemistry, University of Hyderabad, Hyderabad-500 046, India;1. Shanghai EBIT Lab, Key Laboratory of Nuclear Physics and Ion-beam Application, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China;2. Hebei Key Lab of Optic-electronic Information and Materials, The College of Physics Science and Technology, Hebei University, Baoding 071002, China;1. Department of Physics and Astronomy, Drake University, Des Moines, IA 50311, USA;2. National Institute of Standards and Technology Gaithersburg, MD 20899-8420, USA |
| |
| Abstract: | 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 summaryProgram title: RatipCatalogue identifier: AEMA_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEMA_v1_0.htmlProgram obtainable from: CPC Program Library, Queen?s University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 256 562No. of bytes in distributed program, including test data, etc.: 4 975 979Distribution format: tar.gzProgramming language: ANSI standard Fortran 90/95 and subsequent developmentsComputer: PCs and workstationsOperating system: Suse, Debian and Ubuntu LinuxRAM: 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, 2.9Subprograms used:| Cat Id Title Reference | | ADCU_v1_0 Grasp92 CPC 94 (1996) 249 |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
|
