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Calculation of dispersion energy shifts in molecular electronic spectra using sum rules
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. QUANTUM CHEMISTRY.
2001 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 81, no 3, 202-205 p.Article in journal (Refereed) Published
Abstract [en]

The use of factorization formulas due to Casimir and Polder gives exact expressions for van der Waals energies in terms of the dynamic properties of the subsystems. It is natural to approximate the appearing polarizabilities in terms of rational fractions

Place, publisher, year, edition, pages
JOHN WILEY & SONS INC , 2001. Vol. 81, no 3, 202-205 p.
Keyword [en]
solvation; dispersion energies; Thomas-Reiche-Kuhn sum rule; polarizabilities; Casimir-Polder factorization; Pade approximants
URN: urn:nbn:se:uu:diva-36851OAI: oai:DiVA.org:uu-36851DiVA: diva2:64750
Addresses: Goscinski O, Univ Uppsala, Dept Quantum Chem, Box 518, S-75120 Uppsala, Sweden. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-13

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