title: Hierarchy of forward-backward stochastic Schrödinger equation.
abstract: Driven by the impetus to simulate quantum dynamics in photosynthetic complexes or even larger molecular aggregates, we have established a hierarchy of forward-backward stochastic Schrödinger equation in the light of stochastic unravelling of the symmetric part of the influence functional in the path-integral formalism of reduced density operator. The method is numerically exact and is suited for Debye-Drude spectral density, Ohmic spectral density with an algebraic or exponential cutoff, as well as discrete vibrational modes. The power of this method is verified by performing the calculations of time-dependent population differences in the valuable spin-boson model from zero to high temperatures. By simulating excitation energy transfer dynamics of the realistic full FMO trimer, some important features are revealed.
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Lab of Theoretical and Computational Chemistry, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China.
authors.forename: Yaling
authors.initials: Y
authors.lastname: Ke
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Lab of Theoretical and Computational Chemistry, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Zhao
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry; D045342:Light-Harvesting Protein Complexes / Q000737:chemistry; D008962:Models, Theoretical; D011789:Quantum Theory; D013057:Spectrum Analysis; D013269:Stochastic Processes; D013696:Temperature; D013997:Time Factors; D014732:Vibration
chemical_list: D001426:Bacterial Proteins; C086320:FMO bacteriochlorophyll protein, Bacteria; D045342:Light-Harvesting Protein Complexes