Atoms
(Apr 2023)
GRASP Manual for Users
Per Jönsson,
Gediminas Gaigalas,
Charlotte Froese Fischer,
Jacek Bieroń,
Ian P. Grant,
Tomas Brage,
Jörgen Ekman,
Michel Godefroid,
Jon Grumer,
Jiguang Li,
Wenxian Li
Affiliations
Per Jönsson
Department of Materials Science and Applied Mathematics, Malmö University, SE-20506 Malmö, Sweden
Gediminas Gaigalas
Institute of Theoretical Physics and Astronomy, Vilnius University, LT-010222 Vilnius, Lithuania
Charlotte Froese Fischer
Department of Computer Science, University of British Columbia, Vancouver, BC V6T 1Z4, Canada
Jacek Bieroń
Instytut Fizyki Teoretycznej, Uniwersytet Jagielloński, 30-348 Kraków, Poland
Ian P. Grant
Mathematical Institute, University of Oxford, Andrew Wiles Building, Woodstock Road, Oxford OX2 6GG, UK
Tomas Brage
Division of Mathematical Physics, Department of Physics, Lund University, Box 118, SE-22100 Lund, Sweden
Jörgen Ekman
Department of Materials Science and Applied Mathematics, Malmö University, SE-20506 Malmö, Sweden
Michel Godefroid
Spectroscopy, Quantum Chemistry and Atmospheric Remote Sensing, Université libre de Bruxelles, B-1050 Bruxelles, Belgium
Jon Grumer
Theoretical Astrophysics, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden
Jiguang Li
No. 6 Huayuan Road, Haidian District, Beijing 100088, China
Wenxian Li
Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012, China
DOI
https://doi.org/10.3390/atoms11040068
Journal volume & issue
Vol. 11,
no. 4
Abstract
Read online
grasp is a software package in Fortran 95, adapted to run in parallel under MPI, for research in atomic physics. The basic premise is that, given a wave function, any observed atomic property can be computed. Thus, the first step is always to determine a wave function. Different properties challenge the accuracy of the wave function in different ways. This software is distributed under the MIT Licence.
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