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GRASP Manual for Users

Jönsson, Per (author)
Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM),Malmö Univ, Dept Mat Sci & Appl Math, SE-20506 Malmö, Sweden.
Gaigalas, Gediminas (author)
Vilnius Univ, Inst Theoret Phys & Astron, LT-01022 Vilnius, Lithuania.,Vilnius University
Fischer, Charlotte Froese (author)
Univ British Columbia, Dept Comp Sci, Vancouver, BC V6T 1Z4, Canada.,University of British Columbia
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Bieron, Jacek (author)
Uniwersytet Jagiellonski, Inst Fizyki Teoretycznej, PL-30348 Krakow, Poland.,Jagiellonian University
Grant, Ian P. (author)
Univ Oxford, Math Inst, Andrew Wiles Bldg,Woodstock Rd, Oxford OX2 6GG, England.,University of Oxford
Brage, Tomas (author)
Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
Ekman, Jörgen (author)
Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM),Malmö Univ, Dept Mat Sci & Appl Math, SE-20506 Malmö, Sweden.
Godefroid, Michel (author)
Univ Libre Bruxelles, Spect Quantum Chem & Atmospher Remote Sensing, B-1050 Brussels, Belgium.,Université Libre de Bruxelles (ULB)
Grumer, Jon (author)
Uppsala University,Uppsala universitet,Teoretisk astrofysik
Li, Jiguang (author)
6 Huayuan Rd, Beijing 100088, Peoples R China.
Li, Wenxian (author)
Chinese Acad Sci, Key Lab Solar Act, Natl Astron Observ, Beijing 100012, Peoples R China.,National Astronomical Observatories, Chinese Academy of Sciences
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 (creator_code:org_t)
MDPI, 2023
2023
English.
In: Atoms. - : MDPI. - 2218-2004. ; 11:4
  • Journal article (peer-reviewed)
Abstract Subject headings
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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.

Subject headings

NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
NATURVETENSKAP  -- Matematik -- Matematisk analys (hsv//swe)
NATURAL SCIENCES  -- Mathematics -- Mathematical Analysis (hsv//eng)

Keyword

GRASP
atomic properties
atomic wave function
multiconfigurational Dirac-Hartree-Fock
configuration interaction
atomic properties
atomic wave function
configuration interaction
GRASP
multiconfigurational Dirac–Hartree–Fock

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ref (subject category)
art (subject category)

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