Programs in Physics & Physical Chemistry
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|Manuscript Title: A program for computing weak and intermediate field Zeeman splittings from MCHF wave functions.|
|Authors: P. Jonsson, S. Gustafsson|
|Program title: ZEEMAN|
|Catalogue identifier: ADPN_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 144(2002)188|
|Programming language: Fortran, Matlab.|
|Computer: IBM-compatible PC.|
|Keywords: Lande g factor, Zeeman effect, Magnetic field, Multiconfiguration Hartree-Fock+Breit-Pauli, Intermediate coupling, Atomic physics, Structure.|
Nature of problem:
Prediction of Zeeman splittings using Breit-Pauli wave functions.
The electronic wave function for a state labeled gammaJM can be expanded in terms of LSJ coupled configuration state functions Psi(gammaJM) = Sigmai(ci Phi(gammaiLiSiJM)). The Lande g factor can then generally be calculated by summing the g factors between configuration state functions weighted by the product of the expansion coefficients. Using the Lande g factors the total interaction matrix is constructed. By diagonalizing the interaction matrix for different values of the magnetic field the positions of the magnetic sublevels are obtained.
The complexity of the cases that can be handled is entirely determined by the MCHF atomic structure package  used for the generation of the electronic wave functions.
|||C. Froese Fischer, Computer Phys. Commun. 64 (1991), 369.|
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