title: A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes.
abstract: We report on the results of a systematic ab initio study of the Jones birefringence of noble gases, of furan homologues, and of monosubstituted benzenes, in the gas phase, with the aim of analyzing the behavior and the trends within a list of systems of varying size and complexity, and of identifying candidates for a combined experimental/theoretical study of the effect. We resort here to analytic linear and nonlinear response functions in the framework of time-dependent density functional theory. A correlation is made between the observable (the Jones constant) and the atomic radius for noble gases, or the permanent electric dipole and a structure/chemical reactivity descriptor as the para Hammett constant for substituted benzenes.
authors: Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden.
authors: Tobias
authors: T
authors: Fahleson
authors: Patrick
authors: P
authors: Norman
authors: Sonia
authors: S
authors: Coriani
authors: Antonio
authors: A
authors: Rizzo
authors: Geert L J A
authors: GL
authors: Rikken
mesh_terms: D001555:Benzene Derivatives / Q000737:chemistry*; D004574:Electromagnetic Fields; D005663:Furans / Q000737:chemistry*; D005741:Noble Gases / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D001555:Benzene Derivatives; D005663:Furans; D005741:Noble Gases; C039281:furan