Free-time and fixed end-point multi-target optimal control theory: Application to quantum computing

► Free-time and fixed-end point multi-target optimal control theory (FRFP-MTOCT) was constructed. ► The features of our theory include optimization of the external time-dependent perturbations with high transition probabilities, that of the temporal duration, the monotonic convergence, and the ability to optimize multiple-laser pulses simultaneously. ► The advantage of the theory and a comparison with conventional fixed-time and fixed end-point multi-target optimal control theory (FIFP-MTOCT) are presented by comparing data calculated using the present theory with those published previously [K. Mishima, K. Yamashita, Chem. Phys. 361 (2009) 106]. ► The qubit system of our interest consists of two polar NaCl molecules coupled by dipole-dipole interaction. ► The calculation examples show that our theory is useful for minor adjustment of the external fields.