Defining Qubit Properties in High-Valent Actinide Complexes

Quantum computing is a rapidly emerging technology that has the potential to revolutionize computations unattainable with classical computers, and <i>f</i>-element systems have shown exceptional promise in quantum information processing. While progressing through the actinide series, the relativistic effects change the energetics of the 5<i>f</i> and 6<i>d</i> orbitals wherein control of a quantum bit (qubit) could be possible. For example, protactinium contains interesting characteristics and adopts the behavior of transition metals because of its near degeneracy of the 6<i>d</i> and 5<i>f</i> orbitals. This presentation outlines the potential for high-valent 5<i>f</i>¹ early actinide complexes to act as qubits by evaluating the atomic properties, including spin-orbit coupling, crystal electric field, and nuclear spin. This research is set to establish basic understanding of the interplay between the <i>d</i> and <i>f</i> orbitals thereby generating a set of features to enhance quantum coherence in actinide complexes.