Time-dependent response of dissipative electron systems

We present a systematic study of the influence of energy and phase relaxation on dynamic polarizability simulations in the linear response regime. The nonperturbative approach is based on explicit electron dynamics using short laser pulses of low intensities. To include environmental effects on the...

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Bibliographic Details
Published in:Physical review. A, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2010-06, Vol.81 (6), Article 063420
Main Authors: Tremblay, Jean Christophe, Krause, Pascal, Klamroth, Tillmann, Saalfrank, Peter
Format: Article
Language:English
Subjects:
ATOMIC AND MOLECULAR PHYSICS
CALCULATION METHODS
COLLISIONS
COMPUTERIZED SIMULATION
CONFIGURATION INTERACTION
DENSITY MATRIX
DIPOLE MOMENTS
ELECTRIC FIELDS
ELECTRICAL PROPERTIES
ELECTROMAGNETIC RADIATION
ELECTRONS
ELEMENTARY PARTICLES
ELEMENTS
ENERGY LOSSES
FERMIONS
HYDROGEN
LASER RADIATION
LEPTONS
LOSSES
MATRICES
MOLECULE COLLISIONS
MOLECULES
NONMETALS
PERTURBATION THEORY
PHASE SHIFT
PHOTON COLLISIONS
PHOTON-MOLECULE COLLISIONS
PHYSICAL PROPERTIES
POLARIZABILITY
PULSES
RADIATIONS
RELAXATION
RESOLUTION
SIMULATION
TIME DEPENDENCE
TIME RESOLUTION
TIMING PROPERTIES
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Summary:We present a systematic study of the influence of energy and phase relaxation on dynamic polarizability simulations in the linear response regime. The nonperturbative approach is based on explicit electron dynamics using short laser pulses of low intensities. To include environmental effects on the property calculation, we use the time-dependent configuration-interaction method in its reduced density matrix formulation. Both energy dissipation and nonlocal pure dephasing are included. The explicit treatment of time-resolved electron dynamics gives access to the phase shift between the electric field and the induced dipole moment, which can be used to define a useful uncertainty measure for the dynamic polarizability. The nonperturbative treatment is compared to perturbation theory expressions, as applied to a simple model system, the rigid H{sub 2} molecule. It is shown that both approaches are equivalent for low field intensities, but the time-dependent treatment provides complementary information on the phase of the induced dipole moment, which allows for the definition of an uncertainty associated with the computation of the dynamic polarizability in the linear response regime.
ISSN:1050-2947
1094-1622
DOI:10.1103/PhysRevA.81.063420