Cubic response functions in the random phase approximation
1995 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 242, no 1-2, 7-16 p.Article in journal (Refereed) Published
Cubic response functions in the random phase approximation have been derived and their use for computations of static and dynamic second hyperpolarizabilities is demonstrated. The performance of implemented computer strategies in terms of direct one-index transformations and of direct atomic orbital constructions of key elements is discussed. A demonstration is given by calculations of various components of the second hyperpolarizability tensor of two linked thiophene rings.
Place, publisher, year, edition, pages
1995. Vol. 242, no 1-2, 7-16 p.
IdentifiersURN: urn:nbn:se:kth:diva-198852DOI: 10.1016/0009-2614(95)00716-HScopusID: 2-s2.0-0001865286OAI: oai:DiVA.org:kth-198852DiVA: diva2:1058694
QC 201612222016-12-212016-12-212016-12-22Bibliographically approved