title: Absorption and injection models for open time-dependent quantum systems.
abstract: In the time-dependent simulation of pure states dealing with transport in open quantum systems, the initial state is located outside of the active region of interest. Using the superposition principle and the analytical knowledge of the free time evolution of such a state outside the active region, together with absorbing layers and remapping, a model for a very significant reduction of the computational burden associated with the numerical simulation of open time-dependent quantum systems is presented. The model is specially suited to study (many-particle and high-frequency effects) quantum transport, but it can also be applied to any other research field where the initial time-dependent pure state is located outside of the active region. From numerical simulations of open quantum systems described by the (effective mass) Schrödinger and (atomistic) tight-binding equations, a reduction of the computational burden of about two orders of magnitude for each spatial dimension of the domain with a negligible error is presented.
authors.affiliation: Departament d'Enginyeria Electrònica, Universitat Autònoma de Barcelona, 08193-Bellaterra (Barcelona), Spain.
authors.forename: F L
authors.initials: FL
authors.lastname: Traversa
authors.affiliation: Departament d'Enginyeria Electrònica, Universitat Autònoma de Barcelona, 08193-Bellaterra (Barcelona), Spain.
authors.forename: Z
authors.initials: Z
authors.lastname: Zhan
authors.affiliation: Departament d'Enginyeria Electrònica, Universitat Autònoma de Barcelona, 08193-Bellaterra (Barcelona), Spain.
authors.forename: X
authors.initials: X
authors.lastname: Oriols
mesh_terms: D065966:Absorption, Physicochemical; D000465:Algorithms; D003198:Computer Simulation; D008962:Models, Theoretical; D011789:Quantum Theory; D013995:Time