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

doi:10.3390/atoms11040068

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
p. 68

Abstract

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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.

Published in Atoms

ISSN: 2218-2004 (Online)
Publisher: MDPI AG
Country of publisher: Switzerland
LCC subjects: Science: Physics: Nuclear and particle physics. Atomic energy. Radioactivity
Website: http://www.mdpi.com/journal/atoms

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