COUPLING: The program for searching optimal coupling scheme in atomic theory

Gaigalas, G.

Description

The Coupling program, which is important not only for the Grasp2018 package but for the atom theory in general, is presented in this paper. This program is designed as a part of the Grasp2018 package. The Coupling performs the transformation of atomic state functions (ASFs) from a LSJ-coupled CSF basis into several other configuration state function (CSF) bases such as jj, LK, JK, JJ, and many others. It allows identification of the energy structure of practically any element in different coupling schemes and also allows selection of the most suitable one. In addition, examples of how to use the Coupling program are given in additional file Example_Calculation.pdf listed in source directory grasp2018/src/appl/Coupling/Sample_Runs.

Citations (0)

Mentions (0)

Metrics

Dataset Index

0.8

FAIR Score

65%

Citations

1

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Mendeley

License

MIT License

Assigned Domain

Subfield

Molecular Biology

Field

Biochemistry, Genetics and Molecular Biology

Domain

Life Sciences

Confidence Score

44%

Source

Scholar Data Model

Keywords

Computational PhysicsAtomic StructureIsotopeHyperfine Structure

Normalization Factors

FT

53.85

CTw

1.00

MTw

1.00