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Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
Aarhus University, Denmark .
University of Trieste, Italy .
2013 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 139, no 21, 211102- p.Article in journal (Refereed) Published
Abstract [en]

We present a reduced-space algorithm for solving the complex (damped) linear response equations required to compute the complex linear response function for the hierarchy of methods: coupled cluster singles, coupled cluster singles and iterative approximate doubles, and coupled cluster singles and doubles. The solver is the keystone element for the development of damped coupled cluster response methods for linear and nonlinear effects in resonant frequency regions.

Place, publisher, year, edition, pages
American Institute of Physics (AIP) , 2013. Vol. 139, no 21, 211102- p.
National Category
Engineering and Technology
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URN: urn:nbn:se:liu:diva-103293DOI: 10.1063/1.4840275ISI: 000328636400002OAI: oai:DiVA.org:liu-103293DiVA: diva2:688492
Available from: 2014-01-17 Created: 2014-01-16 Last updated: 2017-12-06

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CiteExportLink to record
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Citation style
  • apa
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  • de-DE
  • en-GB
  • en-US
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  • nn-NB
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  • Other locale
More languages
Output format
  • html
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