Single-reference M?ller-Plesset Perturbation Extrapolation Technique in the Accurate Model Chemistry is Unreliable for Non-equilibrium Molecules
Su Ke-He, Wei Jun, Hu Xiao-Ling, Yue Hong, Lv Ling, Wang Yu-Bin, Wen Zhen-Yi
Department of Chemical Engineering,Northwestern Polytechnical University,Xi'an 710072|Institute of Modern Physice,Northwest University,Xi'an Shanxi 710068
Su Ke-He, Wei Jun, Hu Xiao-Ling, Yue Hong, Lv Ling, Wang Yu-Bin, Wen Zhen-Yi. Single-reference M?ller-Plesset Perturbation Extrapolation Technique in the Accurate Model Chemistry is Unreliable for Non-equilibrium Molecules[J].Acta Phys. -Chim. Sin., 2000, 16(10): 912-919.