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The Journal of Chemical Physics

Response to “Comment on ‘Anharmonic properties of the vibrational quantum computer’ ” [J. Chem. Phys. 128, 167101 (2008)]

Dmitri Babikov, Meiyu Zhao

Published Apr 25, 2008• 5 citations
Publisher

Abstract

A benchmark study of the approximate approach to the optimal control of vibrational qubits, which was used in the original paper [J. Chem. Phys.126, 204102 (2007)], is presented. Two simplified assumptions are used in this method: A linear approximation for the dipole moment function and a harmonic approximation for the vibrational wave functions. Both assumptions are often used in spectroscopy and are known to work well for many molecules when the vibrational excitation is low. Here, we show that our method works well for the OH molecule, which exhibits a very anharmonic spectrum of vibrational eigenstates and a complicated dipole moment function.

DOI
10.1063/1.2907733

Related papers

Comment on “Anharmonic properties of the vibrational quantum computer” [J. Chem. Phys. 126, 204102 (2007)]

C. Gollub, Regina de Vivie‐Riedle

Suitable molecules for quantum computing cannot be discussed in terms of anharmonicity and CNOT gates alone. The validity of the approximate approach [M. Zhao and D. Babikov, J. Chem. Phys.126, 204102 (2007)] is limited. Frequencies and anharmonicities cannot be used independent from the molecule. Hermite polynomials with the linear approximation for the dipole moment lead to oversimplified gates with potentially low intensities.

The Journal of Chemical Physics•Apr 25, 2008•6 citations

Anharmonic properties of the vibrational quantum computer

Meiyu Zhao, Dmitri Babikov

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.

The Journal of Chemical Physics•May 24, 2007•31 citations

Anharmonic Properties of the Vibrational Two-Qubit System

Yingying Gu

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.

•Feb 11, 2015•0 citations

Quantum computing based on vibrational eigenstates: Pulse area theorem analysis

Taiwang Cheng, Alex Brown

In a recent paper [D. Babikov, J. Chem. Phys. 121, 7577 (2004)], quantum optimal control theory was applied to analyze the accuracy of quantum gates in a quantum computer based on molecular vibrational eigenstates. The effects of the anharmonicity parameter of the molecule, the target time of the pulse, and the penalty function on the accuracy of the qubit transformations were investigated. We demonstrate that the effects of all the molecular and laser-pulse parameters can be explained utilizing the analytical pulse area theorem, which originates from the standard two-level model. Moreover, by analyzing the difference between the optimal control theory results and those obtained using the pulse area theorem, it is shown that extremely high quantum gate fidelity can be achieved for a qubit system based on vibrational eigenstates.

The Journal of Chemical Physics•Jan 17, 2006•74 citations

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

Yingying Gu, Dmitri Babikov

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.

The Journal of Chemical Physics•Jul 16, 2009•13 citations

Computational study of vibrational qubits in anharmonic linear ion traps

Lei Wang

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.

•Jan 1, 2012•0 citations
A benchmark study of the approximate approach to the optimal control of vibrational qubits, which was used in the original paper [J. Chem. Phys.126, 204102 (2007)], is presented. Two simplified assumptions are used in this method: A linear approximation for the dipole moment function and a harmonic approximation for the vibrational wave functions. Both assumptions are often used in spectroscopy and are known to work well for many molecules when the vibrational excitation is low. Here, we show that our method works well for the OH molecule, which exhibits a very anharmonic spectrum of vibrational eigenstates and a complicated dipole moment function.
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.
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.
In a recent paper [D. Babikov, J. Chem. Phys. 121, 7577 (2004)], quantum optimal control theory was applied to analyze the accuracy of quantum gates in a quantum computer based on molecular vibrational eigenstates. The effects of the anharmonicity parameter of the molecule, the target time of the pulse, and the penalty function on the accuracy of the qubit transformations were investigated. We demonstrate that the effects of all the molecular and laser-pulse parameters can be explained utilizing the analytical pulse area theorem, which originates from the standard two-level model. Moreover, by analyzing the difference between the optimal control theory results and those obtained using the pulse area theorem, it is shown that extremely high quantum gate fidelity can be achieved for a qubit system based on vibrational eigenstates.
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.
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.