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Manuscript Title: HFSZEEMAN A program for computing weak and intermediate field fine and hyperfine structure Zeeman splittings from MCDHF wave functions | ||

Authors: Martin Andersson, Per Jönsson | ||

Program title: HFSZEEMAN | ||

Catalogue identifier: ADZS_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 178(2008)156 | ||

Programming language: Fortran, Matlab. | ||

Computer: IBM-compatible PC, unix workstation. | ||

Operating system: Unix, Linux. | ||

Keywords: Relativistic atomic wave functions, hyperfine structure, A and B factors, Landé gJ factor, Zeeman effect, Paschen-Back effect, magnetic field, multiconfiguration Dirac-Hartree-Fock+Breit. | ||

PACS: 32.10.Fn, 32.30.-r, 32.60.+i. | ||

Classification: 7.3. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

ADZL_v1_0 | grasp2K v1.0 | CPC 177(2007)597 |

Nature of problem:Prediction of weak and intermediate field Zeeman splittings of fine- and hyperfine structure levels using multiconfiguration Dirac-Hartree-Fock wave functions. | ||

Solution method:The electronic wave function for a state labeled ΓJM is expanded in terms of jj-coupled
configuration state functions
|ΓJM⟩ = ∑_{γ} c_{γ}|γJM⟩.
In this representation the reduced matrix elements used to construct the interaction matrix can be computed as sums over one-particle radial integrals. By diagonalizing
the interaction matrix and plotting eigenvalue as functions of the magnetic field, Zeeman splittings of
fine- and hyperfine structure levels are obtained. | ||

Restrictions:The complexity of the cases that can be handled is entirely determined by the grasp2K package [1] used for the generation of the electronic wave functions. | ||

Running time:CPU time required to execute test cases: a few seconds. | ||

References: | ||

[1] | Jönsson P., Xe H., Froese Fischer C. and Grant I.P., 177(2007)597 Comput. Phys. Commun. |

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