Solve the Secular Equation HΨ = ESΨ
Atom numbers and labels are optional      Valence Orbital Ionization Energies Table

 S = Atom: 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 Label: H He Li Be B C N O F H He Li Be B C N O F H He Li Be B C N O F H He Li Be B C N O F H He Li Be B C N O F H He Li Be B C N O F H He Li Be B C N O F H He Li Be B C N O F 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz 1s 2s 2px 2py 2pz
using atom and orbital types

 H =

Results:

#### Valence Orbital Ionization Energies, eV

 Atom 1s 2s 2p 3s 3p 4s 4p H 13.6 He 24.5 Li 5.45 3.5 Be 9.30 6.0 B 14.0 8.30 C 19.5 10.7 N 25.5 13.1 O 32.3 15.9 F 40.4 18.7 Ne 48.5 21.5 Na 5.21 Mg 7.68 Al 11.3 5.95 Si 15.0 7.81 P 18.7 10.2 S 20.7 11.7 Cl 25.3 13.8 Ar 29.2 15.9 K 4.34 Ca 6.07 Zn 9.42 Ga 12.6 5.95 Ge 15.6 7.56 As 17.6 9.05 Se 20.8 10.8 Br 24.0 12.5 Kr 27.5 14.3
 3d 4s 4p Sc 4.71 5.70 3.22 Ti 5.58 6.07 3.35 V 6.32 6.32 3.47 Cr 7.19 6.57 3.47 Mn 7.93 6.82 3.59 Fe 8.68 7.07 3.72 Co 9.42 7.32 3.84 Ni 10.0 7.56 3.84 Cu 10.7 7.69 3.97
One-electron ionization energies of the valence orbitals calculated by finding the average energies of both the ground-state and ionized-state configurations. (Harry Gray, Electrons and Chemical Bonding, Benjamin/Cummings, 1964, Appendix)

Colby College Chemistry, T. W. Shattuck, 8/13/2013