Neil Qiang Su and Xin Xu*, H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals,J. Chem. Phys., 20
2021-03-04
Neil Qiang Su and Xin Xu*, H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals,J. Chem. Phys., 2015, 142, 084107