Ⅰ.INTRODUCTIONWhen calculating the interaction energy between two hydrogen molecules with certain relative orientation, if we only wish to determine the position of the equilibrium point and the depth of the potentia...Ⅰ.INTRODUCTIONWhen calculating the interaction energy between two hydrogen molecules with certain relative orientation, if we only wish to determine the position of the equilibrium point and the depth of the potential well, those with higher accuracy among the ab initio methods could be chosen, by which only several points near certain estimated position need to be calcu-展开更多
文摘Ⅰ.INTRODUCTIONWhen calculating the interaction energy between two hydrogen molecules with certain relative orientation, if we only wish to determine the position of the equilibrium point and the depth of the potential well, those with higher accuracy among the ab initio methods could be chosen, by which only several points near certain estimated position need to be calcu-
