The Cotton-Mouton effect of gaseous CO2, N2O, OCS and CS2. A cubic response multiconfigurational self-consistent field study
2001 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 114, no 19, 8372-8381 p.Article in journal (Refereed) Published
An extended ab initio study of the Cotton-Mouton effect of CO2, N2O, OCS, and CS2, employing correlated wave functions expanded in correlation consistent basis sets as large as t-aug-cc-pVTZ and an analytic response approach was carried out. The dependence of the static diamagnetic and paramagnetic hypermagnetizabilities at the SCF level was analyzed. Results of the study are the best possible with current state-of-the-art theoretical and computational methods.
Place, publisher, year, edition, pages
2001. Vol. 114, no 19, 8372-8381 p.
National CategoryEngineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-47383DOI: 10.1063/1.1364678OAI: oai:DiVA.org:liu-47383DiVA: diva2:268279