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Dispersion forces in a four-component density functional theory framework
Linköping University, Department of Physics, Chemistry and Biology. (Beräkningsfysik)
2009 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
Abstract [en]

The main purpose of this thesis is to implement the Gauss--Legendre quadrature for the dispersion coefficient. This has been done and can be now be made with different number of points. The calculations with this implementation has shown that the relativistic impact on helium, neon, argon and krypton is largest for krypton, that has the highest charge of its nucleus. It was also seen that the polarizability of neon as a function of the imaginary angular frequency decreases monotonically from a static value.

Place, publisher, year, edition, pages
2009. , 24 p.
Keyword [en]
Dispersion force, polarizability, four-component density functional theory, noble gases
National Category
Other Physics Topics
URN: urn:nbn:se:liu:diva-18487ISRN: LITH-IFM-A-EX--09/2185--SEOAI: diva2:222397
2009-06-05, Jordan-Fermi, Fysikhuset, Linköpings universitet, Linköping, 13:15 (Swedish)
Available from: 2009-06-09 Created: 2009-05-28 Last updated: 2009-06-09Bibliographically approved

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Pilemalm, Robert
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Department of Physics, Chemistry and Biology
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