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GRASP Manual for Users

P. JönssonDepartment of Materials Science and Applied Mathematics, Malmö University, SE-20506 Malmö, SwedenGediminas GaigalasInstitute of Theoretical Physics and Astronomy, Vilnius University, LT-010222 Vilnius, LithuaniaCharlotte Froese FischerDepartment of Computer Science, University of British Columbia, Vancouver, BC V6T 1Z4, CanadaJacek BierońInstytut Fizyki Teoretycznej, Uniwersytet Jagielloński, 30-348 Kraków, PolandI. P. GrantMathematical Institute, University of Oxford, Andrew Wiles Building, Woodstock Road, Oxford OX2 6GG, UKTomas BrageDivision of Mathematical Physics, Department of Physics, Lund University, Box 118, SE-22100 Lund, SwedenJ. EkmanDepartment of Materials Science and Applied Mathematics, Malmö University, SE-20506 Malmö, SwedenMichel GodefroidSpectroscopy, Quantum Chemistry and Atmospheric Remote Sensing, Université libre de Bruxelles, B-1050 Bruxelles, BelgiumJon GrumerTheoretical Astrophysics, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, SwedenJiguang LiNo.6 Huayuan Road, Haidian District, Beijing 100088, ChinaWenxian LiKey Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012, China
2023en
ABI

Аннотация

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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