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Multiconfiguration Dirac-Hartree-Fock energy levels and transition probabilities for W xxxviii

Published

Author(s)

Charlotte F. Fischer, G. Gaigalas

Abstract

Energies, lifetimes, and wave function compositions have been computed for all levels of 4p64d, 4p64f, and 4p54d2 using single- and double excitations from a multi-reference set (SD-MR) to generate expansions for the multiconfiguration Dirac-Hartree-Fock (MCDHF) approximation. A newly extended version of the general relativistic atomic structure package, grasp2K was used to deal with configuration state functions with as many as six open shell and with configurations containing as many as three f-electrons. E1, E2, M1 transition probabilities are reported for transitions between the levels as Supplemental Material at [URL to be inserted]. Results are compared with other theory and with experiment, when available.
Citation
Physical Review A (Atomic, Molecular and Optical Physics)
Volume
85

Keywords

correlation, energy levels, electronic structure, multiconfiguration Dirac-Hartree-Fock, transition probabilities

Citation

Fischer, C. and Gaigalas, G. (2012), Multiconfiguration Dirac-Hartree-Fock energy levels and transition probabilities for W xxxviii, Physical Review A (Atomic, Molecular and Optical Physics), [online], https://doi.org/10.1103/PhysRevA.85.042501 (Accessed May 26, 2024)

Issues

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Created April 3, 2012, Updated July 7, 2023