The electron momentum distribution of 3σ_u orbital of carbon dioxide has been measured at high momentum resolution. Through comparation between experimental and theoretical results, the calculation by DFT-B3LYP metho...The electron momentum distribution of 3σ_u orbital of carbon dioxide has been measured at high momentum resolution. Through comparation between experimental and theoretical results, the calculation by DFT-B3LYP method using 6- 311 + +G basis set is more agreement with the experirnental data than other calculations.展开更多
基金This work was supported by the National Basic Research Program of China （No.2010CB923301） and the National Natural Science Foundation of China （No.11327404, No.20973160, No.10904136）. The au- thors also gratefully acknowledge Professor C. E. Brion from the University of British Columbia （UBC） in Canada for giving us the HEMS programs.
文摘The electron momentum distribution of 3σ_u orbital of carbon dioxide has been measured at high momentum resolution. Through comparation between experimental and theoretical results, the calculation by DFT-B3LYP method using 6- 311 + +G basis set is more agreement with the experirnental data than other calculations.
