It is a promising research for optimization of quantum gate in the field of quantum computation. We investigate the feasibility of implementing the single-qubit gate (Hadamard) in molecular rotational system. By applying the Multi-constraint quantum optimal control method, the excepted final states can be achieved based on the molecular rotational states both in resonant and non-resonant cases with the control pulses. The permanent electric dipole moment is ignored in non-resonance. Besides, the zero-pulse area constraint and the constant fluence constraint are employed to optimize shapes of control pulses. Finally, we show that the Hadamard gate can be realized with the high fidelity (0.9999) and also examine the dependence of the fidelity on pulse fluence as well as the control pulse.
© 2022. The Author(s).