title: Non-Markovian Quantum State Diffusion for temperature-dependent linear spectra of light harvesting aggregates.
abstract: Non-Markovian Quantum State Diffusion (NMQSD) has turned out to be an efficient method to calculate excitonic properties of aggregates composed of organic chromophores, taking into account the coupling of electronic transitions to vibrational modes of the chromophores. NMQSD is an open quantum system approach that incorporates environmental degrees of freedom (the vibrations in our case) in a stochastic way. We show in this paper that for linear optical spectra (absorption, circular dichroism), no stochastics is needed, even for finite temperatures. Thus, the spectra can be obtained by propagating a single trajectory. To this end, we map a finite temperature environment to the zero temperature case using the so-called thermofield method. The resulting equations can then be solved efficiently by standard integrators.
authors.affiliation: Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Str. 38, D-01187 Dresden, Germany.
authors.forename: Gerhard
authors.initials: G
authors.lastname: Ritschel
authors.affiliation: Institut für Theoretische Physik, Technische Universität Dresden, D-01062 Dresden, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: Suess
authors.affiliation: Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Str. 38, D-01187 Dresden, Germany.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Möbius
authors.affiliation: Institut für Theoretische Physik, Technische Universität Dresden, D-01062 Dresden, Germany.
authors.forename: Walter T
authors.initials: WT
authors.lastname: Strunz
authors.affiliation: Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Str. 38, D-01187 Dresden, Germany.
authors.forename: Alexander
authors.initials: A
authors.lastname: Eisfeld
mesh_terms: D004058:Diffusion; D045342:Light-Harvesting Protein Complexes / Q000737:chemistry*; D011789:Quantum Theory; D013057:Spectrum Analysis / Q000379:methods*; D013269:Stochastic Processes; D013696:Temperature
chemical_list: D045342:Light-Harvesting Protein Complexes