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Authors = Jon Grumer ORCID = 0000-0002-6224-3492

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369 pages, 1459 KiB  
Article
GRASP Manual for Users
by Per Jönsson, Gediminas Gaigalas, Charlotte Froese Fischer, Jacek Bieroń, Ian P. Grant, Tomas Brage, Jörgen Ekman, Michel Godefroid, Jon Grumer, Jiguang Li and Wenxian Li
Atoms 2023, 11(4), 68; https://doi.org/10.3390/atoms11040068 - 5 Apr 2023
Cited by 45 | Viewed by 5795
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 [...] Read more.
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. Full article
(This article belongs to the Special Issue The General Relativistic Atomic Structure Package—GRASP)
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44 pages, 978 KiB  
Article
An Introduction to Relativistic Theory as Implemented in GRASP
by Per Jönsson, Michel Godefroid, Gediminas Gaigalas, Jörgen Ekman, Jon Grumer, Wenxian Li, Jiguang Li , Tomas Brage, Ian P. Grant, Jacek Bieroń and Charlotte Froese Fischer
Atoms 2023, 11(1), 7; https://doi.org/10.3390/atoms11010007 - 31 Dec 2022
Cited by 48 | Viewed by 6192
Abstract
Computational atomic physics continues to play a crucial role in both increasing the understanding of fundamental physics (e.g., quantum electrodynamics and correlation) and producing atomic data for interpreting observations from large-scale research facilities ranging from fusion reactors to high-power laser systems, space-based telescopes [...] Read more.
Computational atomic physics continues to play a crucial role in both increasing the understanding of fundamental physics (e.g., quantum electrodynamics and correlation) and producing atomic data for interpreting observations from large-scale research facilities ranging from fusion reactors to high-power laser systems, space-based telescopes and isotope separators. A number of different computational methods, each with their own strengths and weaknesses, is available to meet these tasks. Here, we review the relativistic multiconfiguration method as it applies to the General Relativistic Atomic Structure Package [grasp2018, C. Froese Fischer, G. Gaigalas, P. Jönsson, J. Bieroń, Comput. Phys. Commun. (2018). DOI: 10.1016/j.cpc.2018.10.032]. To illustrate the capacity of the package, examples of calculations of relevance for nuclear physics and astrophysics are presented. Full article
(This article belongs to the Special Issue The General Relativistic Atomic Structure Package—GRASP)
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