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Free-time and fixed end-point optimal control theory in quantum
mechanics: Application to entanglement generation
a b s t r a c t
We have constructed free-time and fixed end-point optimal control theory for quantum systems and
applied it to entanglement generation between rotational modes of two polar molecules coupled by
dipole-dipole interaction. The motivation of the present work is to solve optimal control problems
more flexibly by extending the popular fixed time and fixed end-point optimal control theory for
quantum systems to free-time and fixed end-point optimal control theory. As a demonstration, the
theory that we have constructed in this paper will be applied to entanglement generation in rotational
modes of NaCl–NaBr polar molecular systems that are sensitive to the strength of entangling
interactions. Our method will significantly be useful for the quantum control of nonlocal interaction
such as entangling interaction, which depends crucially on the strength of the interaction or the
distance between the two molecules, and other general quantum dynamics, chemical reactions, and
so on.
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Quantum computing using rotational modes of two polar molecules
a b s t r a c t
In this paper, we numerically constructed general-purpose phase-correct global quantum gates by using
intermolecular rotational modes of two polar molecules coupled by dipole–dipole interaction to encode
two qubits and implement the Deutsch–Jozsa algorithm. The calculations were based on the multi-target
optimal control theory (MTOCT). The molecular systems we examined were NaCl–NaBr, NaCl–NaCl, and
NaBr–NaBr polar molecular systems. The rotational states in the ground vibrational state of the ground
electronic state of these pairs were taken as two qubits. When implementing the Deutsch–Jozsa algorithm
by combining these elementary gates, we obtained a maximum probability 97.95% for NaBr–NaBr
system with the interval R = 5.0 nm in the repulsive configuration, which is the best performance of the
two-state Deutsch–Jozsa algorithm compared with intramolecular vibrational–vibrational, vibrational–
rotational, and electronic–vibrational qubits reported so far.
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Generation and control of entanglement and arbitrary
superposition states in molecular vibrational and rotational modes
by using sequential chirped pulses
K. Mishima
Abstract
In this Letter, we propose a scheme for generation and control of the entanglement and arbitrary superposition states between molecular
vibrational and rotational modes. We consider molecules in parahydrogen to be excited by linearly polarized chirped pulses in infrared
and microwave frequency regions. From the calculations, it turns out that efficient control can be achieved. As a demonstration, we
focus on HF and LiH molecules and clarify the effect of molecular characteristics on the state preparation using the molecular vibrational
and rotational modes.