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Russian Journal of Physical Chemistry B

Modeling the Dynamics of the Excitation of Two-Level Particles with Pulses of Bichromatic Irradiation

V. A. Morozov

Published May 1, 2019• 0 citations
Publisher

Abstract

Abstract Mathematical modeling of the excitation dynamics of an isolated two-level particle under bichromatic irradiation is carried out on basis of solutions of the Schrödinger equation for the probability amplitudes of the states of the composite system of the particle and an interaction two-mode quantized radiation field, with the photons for each of which in a superposition state at the initial time. An analytical expression describing the change in the time of the population of the excited state of a particle in the adsorption of one of the irradiation photons in the simplest case when the irradiation is a sequence of identical pulses of a sinusoidal form is obtained. The obtained time dependence is compared with the time dependence of the diagonal matrix element of the statistical operator of the particle in the excited state found on the basis of the numerical solution of the system of the optical Bloch equations, with the corresponding irradiation described by the classical theory. Examples of significant differences in the type of these compared time dependences for a number of characteristic cases of irradiation are given.

DOI
10.1134/s1990793119030096

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A mathematical modeling of the time evolution of the populations of the states of a five-level molecule during transformation of resonant monochromatic irradiation and spontaneous emission from the highest-energy state excited by a short pulse of light is performed. The formalism of the optical Bloch equations and quantum theory of radiation are applied a composite system consisting of a molecule and a quantized radiation field. The results of simulation of the evolution of the population of the states of the molecule in the case of spontaneous emission are similar for both of these two approaches, but differ significantly in the case of conversion by the molecule of monochromatic radiation. These differences are the greater, the higher the intensity of resonance Rayleigh scattering or (and) relaxed fluorescence, as a result of which the molecule returns to the initial ground state. An explanation of the nature of these differences is given.
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Analytical expressions for describing the dynamics of the populations of the states of a five-level model molecule during fluorescence reflecting the quantum beats of the populations of its two excited degenerate states coupled by dynamic interaction are derived. The cases of excitation of the molecule by a short light pulse in a state with an energy higher than the energy of the degenerate states and into one of the degenerate states are considered. The populations of states are determined by solving the Schrödinger equation for the amplitudes of probability of populating the states of the composite system comprised of the molecule and a quantized radiation field. It was found that the resulting expressions satisfy the optical Bloch equations for the considered dynamics of the populations of the molecule’s states. Significant distinctions of the present results on the simulation of quantum beats from the corresponding simulation results reported in some works, performed based on different approaches, are revealed. The reasons for these differences are discussed.
The dynamics of transformation of a light pulse by a five-level model molecule whose secondary emission spectrum can contain two fluorescence bands is simulated. The system of equations that determine the time behavior of the matrix elements of the statistical operator of the molecule interacting with the light pulse is numerically solved. From this solution, the time dependences of the populations of the molecular states are determined for different values of the parameters of the irradiation pulse, which is described in terms of the classical theory, and of the parameters that characterize the rates of radiative and nonradiative spontaneous transitions of the molecule. Based on particular examples of the choice of these parameters, it is demonstrated that the mechanism by which dual fluorescence occurs in molecules with intramolecular hydrogen bonds can be efficiently established from the numerically simulated intramolecular dynamics.
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Abstract A system of equations is obtained for describing the dynamics of the secondary photoreaction of two-level molecules emitting spontaneous fluorescence at initial excitation of one of them. The system is derived using the Schrödinger equation for the compound system of a reagent molecule, a reaction product molecule, and a quantized radiation field. Unlike those commonly used in similar modeling, optical Bloch equations describing the dynamics of a non-selective (collective) population of the ground states of two molecules (i.e., the total number of molecules of a pair in their ground states), the system of equations (and its generalization allowing for the longitudinal and transverse relaxation of excited states of molecules) allows estimates of the relative number of reagent molecules and the product in their ground states, the use of which provides a complete idea of the effectiveness of the reaction.