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We perform Hartree Fock calculations to obtain occupied orbitals for triatomic molecule CO2,based on onecenter method and B-splines to deal with cusps and speed up convergence.Both the orbital energies and charge distribution are in good accordance with the reference data.The valence orbital is propagated with single-activeelectron approximation,and the alignment-dependent ionization yield peaks about 40°.However,there are discrepancies between our results and the experimental data,and many-electron effects may need to be exploited further to describe them.