| Title |
GRASP manual for users |
| Authors |
Jonsson, Per ; Gaigalas, Gediminas ; Fischer, Charlotte Froese ; Bieron, Jacek ; Grant, Ian ; Brage, Tomas ; Ekman, Jörgen ; Gedefroid, Michel ; Grumer, Jon ; Li, Jiguang ; Li, Wenxian |
| DOI |
10.3390/atoms11040068 |
| Full Text |
|
| Is Part of |
Atoms: Special issue: The general relativistic atomic structure package—GRASP).. Basel : MDPI. 2023, vol. 11, iss. 4, art. no. 68, p. [1-368].. eISSN 2218-2004 |
| Keywords [eng] |
GRASP ; atomic properties ; atomic wave function ; multiconfigurational Dirac–Hartree– Fock ; configuration interaction |
| Abstract [eng] |
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 |
Basel : MDPI |
| Type |
Journal article |
| Language |
English |
| Publication date |
2023 |
| CC license |
|
