Abstract
Unrestricted Hartree–Fock calculations have been performed on CH4 and neon to compute threshold energies for core electron excitations in both CH4 and neon. The results compare favorably with the experimental work on CH4 [H. U. Chun, Phys. Lett. A 30, 445 (1969)], and on neon [K. Siegbahn et al., ESCA Applied to Free Molecules (North-Holland, Amsterdam, 1969); and G. Brogren, Nova Acta R. Soc. Sci. Ups. Ser. IV, No. 4, 14 (1949)]. Valence ionization calculations are reported and compared both with other theory and with diverse ESCA experiments.
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