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• W2020912997 abstract "Binding energies and peak intensities of methane and acetylene molecules are calculated using the transition operator method (TOM) adapted to ab-initio Hartree–Fock programs. The calculations were done for both systems with and without symmetry restrictions, and the results are analyzed within the framework of TOM. It is found that the symmetry constraints have an important role in the binding energies of the acetylene molecule but none in the methane molecule. The intensities were calculated using the generalized sudden approximation (GSA) and the dipolar approximation; those resulting intensities are compared and discussed for the core and valence orbitals. The results let us conclude that the GSA method is only applicable when comparing photoionization intensities of neighboring ionization energy orbitals." @default.
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• W2020912997 date "1986-03-10" @default.
• W2020912997 modified "2023-09-26" @default.
• W2020912997 title "Binding energies and peak intensities of light hydrocarbon molecules throughTOM I. Methane and acetylene" @default.
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• W2020912997 doi "https://doi.org/10.1002/qua.560300749" @default.
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