Diabaticpotentialenergysurfaces相关论文
Three-dimensional (3D) dia-batic potential energy surfaces(PESs) of thiophenol involving the S0,and coupled 1ππ* and 1......
Construction of Diabatic and Adiabatic Potential Energy Surfaces of Li2 by Multistate Density Functi
In this study,we describe the total of 26 diabatic states for lithium dimer(Li2)to determine the adiabatic ground state ......