Modeling of dynamic molecular solvent properties using local and cavity field approaches
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
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.
nonlinear-optical response, hyperpolarizabilities, polarizabilities, acetonitrile, media
IdentifiersURN: urn:nbn:se:kth:diva-19488ISI: 000084776000027OAI: oai:DiVA.org:kth-19488DiVA: diva2:338180
QC 201005252010-08-102010-08-10Bibliographically approved