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Facta universitatis - series Physics Chemistry and Technology

The first and second moments for the quantum Brownian planar rotator in external harmonic classical field

Igor Petrović, J. Jeknić-Dugić

Published Jan 1, 2017• 1 citation
Publisher

Abstract

We derive explicit expressions for the first and second moments as well as the correlation function for a planar (one-dimensional) quantum Brownian rotator placed in the external harmonic potential. Our results directly provide the standard deviations for the azimuthal angle and the canonically conjugate angular momentum for the rotator. We find that there are some significant physical differences between this model and the free rotator model, which is well investigated in the literature.

DOI
10.2298/fupct1702071p

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We derive explicit expressions for the first and second moments as well as the correlation function for a planar (one-dimensional) quantum Brownian rotator placed in the external harmonic potential. Our results directly provide the standard deviations for the azimuthal angle and the canonically conjugate angular momentum for the rotator. We find that there are some significant physical differences between this model and the free rotator model, which is well investigated in the literature.
Dynamical stability is a prerequisite for control and functioning of desired nanomachines. We utilize the Caldeira-Leggett master equation to investigate dynamical stability of molecular cogwheels modeled as a rigid, propeller-shaped planar rotator. To match certain expected realistic physical situations, we consider a weakly nonharmonic external potential for the rotator. Two methods for investigating stability are used. First, we employ a quantum-mechanical counterpart of the so-called "first passage time" method. Second, we investigate time dependence of the standard deviation of the rotator for both the angle and angular momentum quantum observables. A perturbationlike procedure is introduced and implemented to provide the closed set of differential equations for the moments. Extensive analysis is performed for different combinations of the values of system parameters. The two methods are, in a sense, mutually complementary. Appropriate for the short time behavior, the first passage time exhibits a numerically relevant dependence only on the damping factor as well as on the rotator size. However, the standard deviations for both the angle and angular momentum observables exhibit strong dependence on the parameter values for both short and long time intervals. Contrary to our expectations, the time decrease of the standard deviations is found for certain parameter regimes. In addition, for certain parameter regimes nonmonotonic dependence on the rotator size is observed for the standard deviations and for the damping of the oscillation amplitude. Hence, nonfulfillment of the classical expectation that the size of the rotator can be reduced to the inertia of the rotator. In effect, the task of designing the desired protocols for the proper control of the molecular rotations becomes an optimization problem that requires further technical elaboration.
The quantum theory of a damped harmonic oscillator is developed by considering an exactly solvable model, previously discussed by Unruh and Zurek [Phys. Rev. D 40, 1071 (1989)]. A one-dimensional harmonic oscillator is coupled to a scalar field. The field is assumed to be initially in thermal equilibrium. The Heisenberg equations of motion are solved without approximation, and the first and second moments, 〈q(t)〉, 〈p(t)〉, 〈q2{\mathit{q}}^{2}q2(t)〉, 〈p2{\mathit{p}}^{2}p2(t)〉, and 〈q(t)p(t)+p(t)q(t)〉 of the coordinate and momentum of the oscillator are calculated. The high-temperature, zero-temperature, free-particle, and weak-damping limits are discussed. A Wigner function of Gaussian form is constructed. The density-matrix equation derived by Louisell $[---Quantum Statistical Properties of Radiation (Wiley, New York, 1973)] is examined and shown to have a solution in agreement with our weak-damping limit.
Both the two-dimensional harmonic oscillator and the Newton potential allow particular solutions for the orbits which are ellipses with center of attraction in the center, in the first case, and in one focus, in the second. The same complex map which allows to go from Kepler’s to Hooke’s orbits, and back, is used to transform the Lenz vector, defined for the Kepler orbit, into two conserved quantities for the harmonic motion. Upon quantization, the resulting operators, together with the angular momentum Lz, are found to correspond to the generators of the SU(2) internal symmetry of the two-dimensional quantum oscillator and the connection to the Schwinger model of angular momentum is made apparent. We give a self-contained new look on this topic.
The formulation of the quantum description of the rotation angle of the plane rotator has been beset by many of the long-standing problems associated with harmonic-oscillator phases. We apply methods recently developed for oscillator phases to the problem of describing a rotation angle by a Hermitian operator. These methods involve use of a finite, but arbitrarily large, state space of dimension 2l+1 that is used to calculate physically measurable quantum properties, such as expectation values, as a function l. Physical results are then recovered in the limit as l tends to infinity. This approach removes the indeterminacies caused by working directly with an infinite-dimensional state space. Our results show that the classical rotation angle observable does have a corresponding Hermitian operator with well-determined and reasonable properties. The existence of this operator provides deeper insight into the quantum-mechanical nature of rotating systems.
We investigate dynamical stability of a single propeller-like shaped molecular cogwheel modelled as the fixed-axis rigid rotator. In the realistic situations, rotation of the finite-size cogwheel is subject to the environmentally-induced Brownian-motion effect that we describe by utilizing the quantum Caldeira-Leggett master equation. Assuming the initially narrow (classical-like) standard deviations for the angle and the angular momentum of the rotator, we investigate the dynamics of the first and second moments depending on the size, i.e. on the number of blades of both the free rotator as well as of the rotator in the external harmonic field. The larger the standard deviations, the less stable (i.e. less predictable) rotation. We detect the absence of the simple and straightforward rules for utilizing the rotator's stability. Instead, a number of the size-related criteria appear whose combinations may provide the optimal rules for the rotator dynamical stability and possibly control. In the realistic situations, the quantum-mechanical corrections, albeit individually small, may effectively prove non-negligible, and also revealing subtlety of the transition from the quantum to the classical dynamics of the rotator. As to the latter, we detect a strong size-dependence of the transition to the classical dynamics beyond the quantum decoherence process.