A Divide-and-Conquer Quantum-Selected Configuration Interaction for Evaluating $\pi$-$\pi$ Stacking Interaction Energies in the Benzene Dimer

Ryotaro Tajima, Rei Sato, Yosuke Iyama +2

Accurate evaluation of $\pi$--$\pi$ stacking interactions requires a description of electron correlation on a small energy scale. Direct variational quantum calculations of the benzene…