Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory
Matthias Loipersberger, Fionn D. Malone, Alicia R. Welden, Robert M. Parrish, Thomas Fox, Matthias Degroote, Elica S. Kyoseva, Nikolaj Moll, Raffaele Santagati, Michael Streif · Chemical Science · 2023
Proposed quantum algorithm for accurate non-covalent interactions on noisy intermediate-scale quantum computers. Combining molecular wavefunctions from the quantum computing and classical post procressing using symmetry-adapted perturbation theory.