The ground state of ethylene

摘要

The ground stale geometry of ethylene is reviewed and calculated using a basis set near the Hartrec-Poek limit and post-Hwircc-Fock methods, The lieu estimate of the equilibrium geometry is R_(CC)= 1.3307A, R_(CH) = 1.0809A, < HCC = 121.44° by Martin and Taylor [Chem. Phys. Lett., 248 (1996) 336], The estimated tiun-rclativistic, stationary nucleus, equilibrium. geometry total energy is -78.5877 hartrees.