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Calculation of dispersion energy shifts in molecular electronic spectra using sum rules
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- Goscinski, O (author)
- Uppsala universitet,Fysiska institutionen,QUANTUM CHEMISTRY
- (creator_code:org_t)
- JOHN WILEY & SONS INC, 2001
- 2001
- English.
- In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - : JOHN WILEY & SONS INC. - 0020-7608. ; 81:3, s. 202-205
- Journal article (peer-reviewed)
Abstract
Subject headings
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- 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
Keyword
- solvation; dispersion energies; Thomas-Reiche-Kuhn sum rule; polarizabilities; Casimir-Polder factorization; Pade approximants
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- ref (subject category)
- art (subject category)
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