Quantum Monte Carlo calculation of the electronic binding energy in a C60 molecule

Electronic energies are calculated for a Hubbard model on the C60 molecule using projector quantum Monte Carlo (QMC) methods. The calculations are performed to an accuracy high enough to determine the pair-binding energy for two electrons added to neutral C60. The method itself is checked against a variety of other quantum Monte Carlo methods as well as the exact diagonalization for smaller molecules. The conclusion is that the ground state …