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The Cotton-Mouton effect of gaseous CO2, N2O, OCS and CS2. A cubic response multiconfigurational self-consistent field study
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
Ågren, H., Theoretical Chemistry, Royal Institute of Technology, Teknikringen 30, S-10044, Stockholm, Sweden.
Istituto di Chimica Quantistica ed Energetica Molecolare del Consiglio Nazionale delle Ricerche, Area Della Ricerca di Pisa, Loc. San Cataldo, Via G. Moruzzi 1, I-56124 Pisa, Italy.
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2001 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 114, no 19, 8372-8381 p.Article in journal (Refereed) Published
Abstract [en]

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 Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-47383DOI: 10.1063/1.1364678OAI: diva2:268279
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

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