Abstract
Ionization of one 1s electron is treated in the same way as ionization of one valence electron. As discussed in Sec.H. 1. the ionization energy IP α1s is therefore the difference of two total energies
As an expression for the total energy E we use here the sum of the expressions (D.38) + (F.21) + (F.22).
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Lindholm, E., Åsbrink, L. (1985). Studies of 1s electrons. In: Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method. Lecture Notes in Chemistry, vol 38. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-45595-7_11
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