Qubits Constructed on the Vibrational and Rotational States of Diatomic Molecules

In this work, we study the possibility of using the vibrational and rotational modes of open-shell diatomic molecules as qubits. The candidate molecules are the heterogeneous molecules whose fundamental state is ²П_1/2 or ²П_3/2. The use of the transitions between Λ -doubling states in opposite parity as qubits realized by the control with optimized laser pulses, that serve as logical gates. The optimization of these pulses will be done using the multi-Target Optimal Control Theory (MTOCT). A computer code was created to simulate quantum gates, the results are excellent, the fidelity for each logic gate is optimal with a rate of 99.99%. This verified that the vibrational and rotational qubits of open-shell diatomic molecules are a promising way for the creation of quantum gates and the implementation of quantum algorithms. In this work the controllability of the system from the initial states to the target states and the reversibility of the process are verified, and also the universality of the quantum gates by the use of unique laser for the realization of all quantum gates.