title: Linear and nonlinear optical properties of azobenzene derivatives.
abstract: The results of computations of spectroscopic parameters of lowest-lying electronic excited states of azobenezene derivatives are presented. The analysis of experimentally recorded spectra was supported by quantum chemical calculations using density functional theory. The theoretically determined resonant (two-photon absorption probabilities) and non-resonant (first-order hyperpolarisability) nonlinear optical properties are also discussed, with an eye towards the performance of recently proposed long-range corrected (LRC) schemes (LC-BLYP and CAM-B3LYP functionals).
authors.affiliation: Department of Physical Chemistry, Collegium Medicum, Nicolaus Copernicus University, Kurpińskiego 5, 85-950 Bydgoszcz, Poland.
authors.forename: P
authors.initials: P
authors.lastname: Krawczyk
authors.forename: A
authors.initials: A
authors.lastname: Kaczmarek
authors.forename: R
authors.initials: R
authors.lastname: Zaleśny
authors.forename: K
authors.initials: K
authors.lastname: Matczyszyn
authors.forename: W
authors.initials: W
authors.lastname: Bartkowiak
authors.forename: M
authors.initials: M
authors.lastname: Ziółkowski
authors.forename: P
authors.initials: P
authors.lastname: Cysewski
mesh_terms: D000465:Algorithms; D001391:Azo Compounds / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D011789:Quantum Theory; D013053:Spectrophotometry / Q000379:methods*
chemical_list: D001391:Azo Compounds; C009850:azobenzene