3.8 Article

An Introduction to Relativistic Theory as Implemented in GRASP

期刊

ATOMS
卷 11, 期 1, 页码 -

出版社

MDPI
DOI: 10.3390/atoms11010007

关键词

ATOMS; GRASP; atomic properties; relativistic atomic structure; multiconfigurational Dirac-Hartree-Fock; finite difference numerical methods; angular integration; configuration interaction; atomic wave function; configuration state function

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Computational atomic physics is essential for advancing fundamental physics knowledge and interpreting data from various large-scale research facilities. This article reviews the relativistic multiconfiguration method as applied to the General Relativistic Atomic Structure Package and provides examples of calculations relevant to nuclear physics and astrophysics.
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. Jonsson, J. Bieron, 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.

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