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The Journal of Chemical Physics

On the role of vibrational anharmonicities in a two-qubit system

Yingying Gu, Dmitri Babikov

Published Jul 16, 2009• 13 citations
Publisher

Abstract

Anharmonicities of vibrational modes allow controlling state-to-state transitions and encoding quantum information bits into vibrational eigenstates. Resonances between different transitions hinder the control. In this paper all resonances that can occur in a two-qubit system are identified and studied. Computational experiments are carried out using optimal control theory and numerical propagation of vibrational wave packets. Useful insight is obtained into the mechanisms of negative effect of these resonances onto the control tasks. A set of general criteria is derived for evaluation of candidate molecules for practical realization of vibrational two-qubit system. Several simple strategies for avoiding such resonances by choosing suitable vibrational characteristics (mode frequencies and anharmonicities) are proposed.

DOI
10.1063/1.3152487

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The Journal of Chemical Physics•Apr 15, 2005•49 citations
Anharmonicities of vibrational modes allow controlling state-to-state transitions and encoding quantum information bits into vibrational eigenstates. Resonances between different transitions hinder the control. In this paper all resonances that can occur in a two-qubit system are identified and studied. Computational experiments are carried out using optimal control theory and numerical propagation of vibrational wave packets. Useful insight is obtained into the mechanisms of negative effect of these resonances onto the control tasks. A set of general criteria is derived for evaluation of candidate molecules for practical realization of vibrational two-qubit system. Several simple strategies for avoiding such resonances by choosing suitable vibrational characteristics (mode frequencies and anharmonicities) are proposed.
My thesis focuses on theoretical studies in the molecular quantum computing with vibrational qubits. We studied how the molecular vibrational properties affect the fidelity of the logic gates. Our approach is to encode states of the quantum information register into the vibrational eigenstates of a molecule and use the shaped laser pulse (femtosecond, infrared) to control the vibrational state-to-state transition. By using the Optimal Control Theory to shape a femtosecond laser and numerical propagation of laser-driven vibrational wave packets, we analyzed how the vibrational properties of a two-qubit system affect the accuracy of the quantum gates and how to effectively control the vibrational state-to-state transitions. From these studies, we found the anharmonicities are very important for the control of the vibrational state-to-state transitions and an intricate interplay between the frequencies and anharmonicities in the two-qubit system leads to the occurrence of resonances between different transitions in the vibrational manifold. Such resonances cause "leakage" of population into other vibrational states and hinder the control. From theoretical analysis of resonances, we formulate several criteria for selection of molecule for implementation of the vibrational two-qubit system. These criteria can help experimentalists to choose the best molecules to achieve accurate qubit transformations in the experiment.
We developed an efficient approach to study the coherent control of vibrational state-to-state transitions. The approximations employed in our model are valid in the regime of the low vibrational excitation specific to the vibrational quantum computer. Using this approach we explored how the vibrational properties of a two-qubit system affect the accuracy of subpicosecond quantum gates. The optimal control theory and numerical propagation of laser-driven vibrational wave packets were employed. The focus was on understanding the effect of the three anharmonicity parameters of the system. In the three-dimensional anharmonicity parameter space we identified several spots of high fidelity separated by low fidelity planar regions. The seemingly complicated picture is explained in terms of interferences between different state-to-state transitions. Very general analytic relationships between the anharmonicity parameters and the frequencies are derived to describe the observed features. Geometrically, these expressions represent planes in the three-dimensional anharmonicity parameter space. Results of this work should help to choose a suitable candidate molecule for the practical implementation of the vibrational two-qubit system.
We analyse the effects of molecular characteristics on the structure of global quantum gates and the complexity of the resulting mechanisms systematically with the goal of rating a molecule's suitability for molecular quantum computing. One decisive property of a molecular vibration is the anharmonicity and in an extension to multimode systems the mode coupling has to be taken into account additionally. In a parametrized two-dimensional model system, we tune these characteristic properties and explore their effects on quantum gates. We find that the interplay of the anharmonicity and the coupling is of prime importance and leads to two basic control mechanisms for all systems. The features of quantum gate laser fields are explained with characteristic transition frequencies, determined by the molecular parameters, and the limits to obtain simple structures are identified.
A method for encoding a multiqubit system into the quantized motional states of ion string in an anharmonic linear trap is proposed. Control over this system is achieved by applying oscillatory electric fields (rf) shaped optimally for desired state-to-state transitions. Anharmonicity of the vibrational spectrum of the system plays a key role in this approach to the control and quantum computation, since it allows resolving different state-to-state transitions and addressing them selectively. The anharmonic trap architecture proposed earlier [Phys. Rev. A 83, 022305 (2011)] is explored here and the optimal control theory is used to derive pulses for a set of universal quantum gates. An accurate choice of pulse parameters allows deriving gates that are both accurate and simple. A practical realization of this approach seems to be within the reach of today's technology.
A string of cold ions confined in a linear trap represents a man-made quantum object with a broad range of applications in atomic and molecular spectroscopy, such as high-precision measurement of atomic properties. An efficient isolation from the environment guarantees excellent coherent properties of such systems and makes them suitable for practical realization of the quantum information processing. The pioneering theoretical [Cirac and Zoller] and experimental [Wineland and Monroe] work in 1990s resulted in the explosive expansion of this field during the last decade. In this dissertation an alternative new method for controlling the quantized motional/vibrational states of ions in a trap is explored theoretically. It is proposed to create small anharmonicity in the trapping potential which would modify the spectrum of states and allow addressing the state-to-state transitions selectively. In this approach all ions remain in the ground electronic state and their motion is controlled adiabatically and coherently by applying the optimally shaped electric fields (RF). The optimal control theory, accurate numerical calculation of the energies and wavefunctions, and numerical propagation of wave packets are employed. Two sources of vibrational anharmonicity are studied: the intrinsic Coulomb anharmonicity due to the ion-ion interactions and the external anharmonicity of the trapping potential. It is shown that the magnitude of Coulomb anharmonicity is insufficient for the control. In contrast, anharmonicity of the trapping potential allows controlling the motion of ions very accurately. It is demonstrated that one ion in a slightly anharmonic trap can be easily controlled and used to represent one qubit. A multi-qubit system can be created by employing a long progression of states of a single ion, or by trapping multiple ions and controlling several normal vibration modes of the ion string. Up to four qubits are modeled in this work and accurate pulses are optimized for a set of universal quantum gates: NOT, conditional NOT (CNOT) and Hadamard transformation. The control field for Shor's algorithm (quantum algorithm for factorization onto prime numbers) is also obtained. It is demonstrated that a careful choice of system properties allows achieving very high accuracy of qubit transformations, up to 0.999.
We explore how the globality of quantum logic operations is ensured in the context of optimal control theory when qubits are encoded in vibrational eigenstates of different normal modes and specially shaped laser fields act as quantum logic operations. In a two-qubit model system, transition mechanisms for optimized laser fields generating single qubit flips, local NOT and global NOT and controlled-NOT (CNOT) gates are investigated and compared. We evaluate the participation of vibrational eigenstates beyond the qubit basis in the global gate mechanisms and how different features of CNOT and NOT gates relate to the characteristics of the vibrational manifold. When a non-qubit normal mode interacting via anharmonic resonances is introduced, neither the global gate mechanisms nor the optimized laser fields show a significant increase in complexity. Similar features of the global quantum gates in both model systems indicate a generality of the deduced principles. Finally, a primary concept for a realization of global quantum gates in an actual experiment referring to state-of-the-art techniques is presented. The possible reconstruction of optimized laser fields with sequences of simple Gaussian subpulses is demonstrated and some critical parameters are deduced.