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Quadratic response functions in the time-dependent four-component Hartree-Fock approximation
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
Department of Chemistry, University of Southern Denmark, DK-5230 Odense M, Denmark.
2004 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 121, no 13, 6145-6154 p.Article in journal (Refereed) Published
Abstract [en]

The implementation of quadratic response function in the four-component Hartree-Fock approximation was discussed. It was implemented based on the Dirac-Coulomb Hamiltonian. The second-order response function enabled the calculation of non-linear, time-dependent, corrections of the molecular polarization and magnetization. The first order response function was determined to evaluate the second-order response function.

Place, publisher, year, edition, pages
2004. Vol. 121, no 13, 6145-6154 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-45615DOI: 10.1063/1.1785774OAI: diva2:266511
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-12

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ReferencesLink to record
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