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Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Exact decoupling of two dipole-dipole interacting dimers

Teresa Cusati, Anna Napoli, ANTONINO MESSINA

Published Oct 21, 2004• 0 citations
Publisher

Abstract

It is today possible to test many quantum mechanical predictions, even the most puzzling ones, setting up sophisticated experiments on exemplary "textbook" physical systems like a single atom or molecule or a single material quantum harmonic oscillator. It is therefore conceptually highly exciting to conceive simple but not trivial physical situations representable by exactly solvable hamiltonian models, in the grasp of the experimentalists. In this paper we study a physical system consisting of two coupled identical dimers. Each molecule possesses both fermionic and bosonic degrees of freedom and its internal non adiabatic dynamics is governed by a bilinear term conserving the total excitation number. The two molecules are assumed to interact by a dipole like term. Our main result is that the hamiltonian model representing such a composite system may be unitarily put in a form describing two fictitious uncoupled JC dimers provided the initial excitation number is less than two. The advantage of these canonical transformations is that it makes the restricted dynamical problem exactly tractable. In this way we may successfully study the time evolution of quantum correlation effects get established in the dimer-dimer system due to dipolar like coupling.

DOI
10.1117/12.591625

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It is today possible to test many quantum mechanical predictions, even the most puzzling ones, setting up sophisticated experiments on exemplary "textbook" physical systems like a single atom or molecule or a single material quantum harmonic oscillator. It is therefore conceptually highly exciting to conceive simple but not trivial physical situations representable by exactly solvable hamiltonian models, in the grasp of the experimentalists. In this paper we study a physical system consisting of two coupled identical dimers. Each molecule possesses both fermionic and bosonic degrees of freedom and its internal non adiabatic dynamics is governed by a bilinear term conserving the total excitation number. The two molecules are assumed to interact by a dipole like term. Our main result is that the hamiltonian model representing such a composite system may be unitarily put in a form describing two fictitious uncoupled JC dimers provided the initial excitation number is less than two. The advantage of these canonical transformations is that it makes the restricted dynamical problem exactly tractable. In this way we may successfully study the time evolution of quantum correlation effects get established in the dimer-dimer system due to dipolar like coupling.
We formulate and exactly solve a model for coherent association and dissociation of fermionic heteronuclear dimers in the deep-lattice Mott regime. Starting from the onsite three-component atom--molecule Hamiltonian, we show how the single-site model maps to the paradigmatic Jaynes--Cummings Hamiltonian from quantum optics. In this mapping, the fermionic molecular/free-atom sector forms an effective two-level system, while the bosonic atomic mode plays the role of the oscillator degree of freedom. We fix the conserved number of fermionic constituent atoms to one but allow an arbitrary conserved number NNN of bosonic constituent atoms. The accessible doublet is then ∣e,N−1⟩↔∣g,N⟩|e,N-1\rangle\leftrightarrow|g,N\rangle∣e,N−1⟩↔∣g,N⟩, and the coherent conversion coupling is bosonically enhanced to χNχ\sqrt{N}χN​. Exact analytic expressions are derived for molecular dissociation, atom-pair association, mode populations, and boson--fermion correlation dynamics. The model provides a transparent matter-wave realization of Jaynes--Cummings physics in a heteronuclear Bose--Fermi system and an exactly solvable setting for understanding coherent atom--molecule conversion and bosonic enhancement in lattice systems.
Dissipative properties of a composite system interacting with an environment are studied in order to obtain insight into relaxation and decoherence phenomena. As a typical system with internal degree of freedom, a Jaynes–Cummings (JC) model is considered where a spin (qubit) interacts with a single bosonic mode. When the whole system is initially in a state of at most single excitation, the model becomes solvable for excitation number conserving Hamiltonians, even if the JC system interacts with its environment composed of harmonic oscillators. Effects of initial correlations between the system and the environment are also taken into account. Basic equations for the density matrix are solved exactly to determine dynamics of the reduced systems. Mutually related problems of initial correlations, entanglement and non-Markovian property are studied explicitly by examining the time evolution of the reduced density matrices, the concurrence and the trace distance.
An approach to spin dynamics in systems with many degrees of freedom, based on a recognition of the constraints common to all large systems, is developed and used to study the excitation of multiple-quantum coherence under a nonsecular dipolar Hamiltonian. The exact equation of motion is replaced by a set of coupled rate equations whose exponential solutions reflect the severe damping expected when many closely spaced frequency components are superposed. In this model the evolution of multiple-quantum coherence under any bilinear Hamiltonian is treated as a succession of discrete hops in Liouville space, with each hop taking the system from a K-spin/n-quantum mode to a K′-spin/n′-quantum mode. In particular, for a pure double-quantum Hamiltonian the selection rules are ΔK=±1 and Δn=±2. The rate for each move depends on the number of Liouville states at the origin and destination, and on the total number of spins present. All rates are scaled uniformly by a factor dependent on the properties of the material, such as the dipolar linewidth, but otherwise the behavior predicted is universal for all sufficiently complicated systems. Results derived by this generic approach are compared to existing multiple-quantum data obtained from solids and liquid crystals.
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the electronic decoherence dynamics of a model many-body molecular system described by the Su-Schrieffer-Heeger Hamiltonian with Hubbard electron-electron interactions using an exact method in which both electronic and nuclear degrees of freedom are taken into account explicitly and fully quantum mechanically. To represent the electron-nuclear Hamiltonian in matrix form and propagate the dynamics, the computations employ the Jordan-Wigner transformation for the fermionic creation/annihilation operators and the discrete variable representation for the nuclear operators. The simulations offer a standard for electronic decoherence that can be used to test approximations. They also provide a useful platform to answer fundamental questions about electronic decoherence that cannot be addressed through approximate or implicit schemes. Specifically, through simulations, we isolate basic mechanisms for electronic coherence loss and demonstrate that electronic decoherence is possible even for one-dimensional nuclear bath. Furthermore, we show that (i) decreasing the mass of the bath generally leads to faster electronic decoherence; (ii) electron-electron interactions strongly affect the electronic decoherence when the electron-nuclear dynamics is not pure-dephasing; (iii) classical bath models with initial conditions sampled from the Wigner distribution accurately capture the short-time electronic decoherence dynamics; (iv) model separable initial superpositions often used to understand decoherence after photoexcitation are only relevant in experiments that employ delta-like laser pulses to initiate the dynamics. These insights can be employed to interpret and properly model coherence phenomena in molecules.
We present simple explicit coordinate transformations which serve to decouple the Schrödinger equation for a pair of (not necessarily identical) harmonic oscillators in the presence of bilinear perturbing potentials. We derive general conditions for the decoupling, and give some examples of physical interest. These include the much studied example with just a static perturbation, the parallel problem with a dynamic coupling term, and the classic example of an isotropic two-dimensional oscillator in a transverse magnetic field, first solved by Fock (1928) by separation of variables.
We study coherent energy transfer of a single excitation and quantum entanglement in a dimer, which consists of a donor and an acceptor modeled by two two-level systems. Between the donor and the acceptor, there exists a dipole-dipole interaction, which provides the physical mechanism for coherent energy transfer and entanglement generation. The donor and the acceptor couple to two independent heat baths with diagonal couplings that do not dissipate the energy of the noncoupling dimer. Special attention is paid to the effect on single-excitation energy transfer and entanglement generation of the energy detuning between the donor and the acceptor and the temperatures of the two heat baths. It is found that, the probability for single-excitation energy transfer largely depends on the energy detuning in the low temperature limit. Concretely, the positive and negative energy detunings can increase and decrease the probability at steady state, respectively. In the high temperature limit, however, the effect of the energy detuning on the probability is negligibly small. We also find that the probability is negligibly dependent on the bath temperature difference of the two heat baths. In addition, it is found that quantum entanglement can be generated in the process of coherent energy transfer. As the bath temperature increases, the generated steady-state entanglement decreases. For a given bath temperature, the steady-state entanglement decreases with the increase of the absolute value of the energy detuning.