LCAOmdash;MO calculations have been made for the 2ppgr;ustate of H2+. Trial wave functions have been constructed which involvedpgr; orbitals as well asppgr; orbitals about the two nuclei, and the energy has been computed for internuclear distances between 2 and 10 a.u. The discrepancies between these energies and the exact energies are decreased by as much as 87 as compared with the discrepancies obtained on usingporbitals alone. Inclusion ofdorbitals also results in a considerable improvement in the equilibrium internuclear distance. The maximum ratio of the coefficients of thedorbitals to those of theporbitals is about 0.24. The approximate wave functions have also been compared graphically with the exact solution.
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