Quantum optimal control theory applied to transitions in diatomic molecules

Abstract

Quantum optimal control theory is applied to control electric dipole transitions in a real multilevel system. The specific system studied in the present work is comprised of a multitude of hyperfine levels in the electronic ground state of the OH molecule. Spectroscopic constants are used to obtain accurate energy eigenstates and electric dipole matrix elements. The goal is to calculate the optimal time-dependent electric field that yields a maximum of the transition probability for a specified initial and final state. A further important objective was to study the detailed quantum processes that take place during such a prescribed transition in a multilevel system. Two specific transitions are studied in detail. The computed optimal electric fields as well as the paths taken through the multitude of levels reveal quite interesting quantum phenomena.

Resonant and non-resonant optimizations by multi-constraint quantum control theory in molecular rotational states

“…Then, more and more protocols about molecular quantum states have been suggested as physical systems for quantum computation 6 – 18 . The structure of molecule is multifarious, and schemes have been proposed for implementing quantum bits with laser pulses to operate quantum logic gates in different molecular states, such as, vibrational states 6 – 8 , rotational states 8 – 10 , and even hyperfine levels of electronic ground states 11 – 13 . Furthermore, quantum logical gates can also be optimized in the molecular pendular states which has been studied specifically in Refs.…”