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.
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