free atom 1 number of iterations 30 precision of the energies 5.00E-06 wave functions 1.00E-05 the integration is made on 251 points-the first is equal to 0.0002 and the step-size pas = 0.0500 matching of w.f. with precision 1.00E-07 in 50 attempts number of electrons nel and average values of r**n in a.u. nel -E n= 6 4 2 1 -1 -2 -3 1s 2.000 2.095E+02 3.879E-02 5.356E-02 1.433E-01 3.257E-01 4.677E+00 4.462E+01 2s 2.000 1.347E+01 6.650E+02 4.275E+01 4.706E+00 1.976E+00 7.133E-01 2.029E+00 2p* 1.000 8.431E+00 2.048E+03 8.366E+01 6.145E+00 2.205E+00 6.051E-01 5.304E-01 overlap integrals 1s 2s 0.0000001