GRASP Manual for Users-Reference-Cited by-同舟云学术

GRASP Manual for Users

Published:2023-04-05 Issue:4 Volume:11 Page:68
ISSN:2218-2004
Container-title:Atoms
language:en
Short-container-title:Atoms

Author:

Jönsson Per¹^ORCID,Gaigalas Gediminas²^ORCID,Fischer Charlotte Froese³^ORCID,Bieroń Jacek⁴^ORCID,Grant Ian P.⁵^ORCID,Brage Tomas⁶^ORCID,Ekman Jörgen¹,Godefroid Michel⁷^ORCID,Grumer Jon⁸^ORCID,Li Jiguang⁹^ORCID,Li Wenxian¹⁰^ORCID

Affiliation:

1. Department of Materials Science and Applied Mathematics, Malmö University, SE-20506 Malmö, Sweden

2. Institute of Theoretical Physics and Astronomy, Vilnius University, LT-010222 Vilnius, Lithuania

3. Department of Computer Science, University of British Columbia, Vancouver, BC V6T 1Z4, Canada

4. Instytut Fizyki Teoretycznej, Uniwersytet Jagielloński, 30-348 Kraków, Poland

5. Mathematical Institute, University of Oxford, Andrew Wiles Building, Woodstock Road, Oxford OX2 6GG, UK

6. Division of Mathematical Physics, Department of Physics, Lund University, Box 118, SE-22100 Lund, Sweden

7. Spectroscopy, Quantum Chemistry and Atmospheric Remote Sensing, Université libre de Bruxelles, B-1050 Bruxelles, Belgium

8. Theoretical Astrophysics, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden

9. No.6 Huayuan Road, Haidian District, Beijing 100088, China

10. Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012, China

Abstract

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.

Publisher

MDPI AG

Subject

Condensed Matter Physics,Nuclear and High Energy Physics,Atomic and Molecular Physics, and Optics

Link

https://www.mdpi.com/2218-2004/11/4/68/pdf

Reference50 articles.

1. An MCHF atomic-structure package for large-scale calculations;Tachiev;Comput. Phys. Commun.,2007

2. Advanced multiconfiguration methods for complex atoms: I. Energies and wave functions;Godefroid;J. Phys. B,2016

3. Grant, I.P. (2007). Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation, Springer Science and Business Media, LLC.

4. GRASP2018-A Fortran 95 version of the General Relativistic Atomic Structure Package;Gaigalas;Comput. Phys. Commun.,2019

5. New version: Grasp2K relativistic atomic structure package;Gaigalas;Comput. Phys. Commun.,2013

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