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Modeling of dynamic molecular solvent properties using local and cavity field approaches
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0003-0007-0394
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0002-1763-9383
2000 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 112, no 4, 1868-1875 p.Article in journal (Refereed) Published
Abstract [en]

Current models of solvent properties using cavity reaction field methods are analyzed and categorized in two groups according to the use of local fields or cavity fields as the perturbing fields. Analytical connections between the two approaches are derived.

Place, publisher, year, edition, pages
2000. Vol. 112, no 4, 1868-1875 p.
Keyword [en]
nonlinear-optical response, hyperpolarizabilities, polarizabilities, acetonitrile, media
Identifiers
URN: urn:nbn:se:kth:diva-19488ISI: 000084776000027Scopus ID: 2-s2.0-0001387896OAI: oai:DiVA.org:kth-19488DiVA: diva2:338180
Note

QC 20100525

Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Norman, P.Luo, YiÅgren, Hans

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