title: Application of time-independent cumulant expansion to calculation of Franck-Condon profiles for large molecular systems.
abstract: In this contribution, advantages and disadvantages of the time-independent and time-dependent approaches for Franck-Condon profile calculations are discussed within the displaced-distorted-rotated harmonic oscillator approximation. Particular strengths and prospects of a previously developed time-independent cumulant expansion in the calculation of a Franck-Condon profile for UV/Vis absorption spectra are demonstrated for the specific case of the S0(1Ag) --> S1(1B3u) transition of terrylene at various temperatures.
authors.affiliation: Clemens-Schöpf Institute, TU Darmstadt, Petersenstr. 22, 64287 Darmstadt, Germany.
authors.forename: Joonsuk
authors.initials: J
authors.lastname: Huh
authors.forename: Robert
authors.initials: R
authors.lastname: Berger
mesh_terms: D000873:Anthracenes / Q000032:analysis / Q000737:chemistry*; D002627:Chemistry, Physical; D008027:Light; D008432:Mathematical Computing; D008958:Models, Molecular; D056951:Photoelectron Spectroscopy / Q000379:methods*; D013057:Spectrum Analysis / Q000379:methods*; D013696:Temperature
chemical_list: D000873:Anthracenes; C528989:terrylene