Accurate Transition Probabilities from Large-Scale Multiconfiguration Calculations – a Tribute to Charlotte Froese Fischer

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Accurate Transition Probabilities from Large-Scale Multiconfiguration Calculations – a Tribute to Charlotte Froese Fischer

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Publication Article, peer reviewed scientific
Title Accurate Transition Probabilities from Large-Scale Multiconfiguration Calculations – a Tribute to Charlotte Froese Fischer
Author(s) Jönsson, Per ; Godefroid, Michel ; Gaigalas, Gediminas ; Bieron, Jacek ; Brage, Tomas
Date 2013
English abstract
The development of multiconfiguration computer packages for atomic structure calculations is reviewed with special attention to the work of Charlotte Froese Fischer. The underlying theory is described along with methodologies to choose basis expansions of configuration state functions. Calculations of energies and transitions rates are presented and the accuracy of the results is assessed. Limitations of multiconfiguration methods are discussed and it is shown how these limitations can be circumvented by a division of the original large-scale computational problem into a number of smaller problems.
DOI http://dx.doi.org/10.1063/1.4815863 (link to publisher's fulltext)
Publisher AIP
Host/Issue AIP Conference Series;
Volume 1545
Pages 266-278
Language eng (iso)
Subject(s) Sciences
Research Subject Categories::NATURAL SCIENCES
Handle http://hdl.handle.net/2043/16279 (link to this page)

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