Vibrational structure in the carbon 1s ionization of hydrocarbons: Calculation using electronic structure theory and the equivalent-cores approximation

• A simple ab initio procedure is used to calculate the vibrational structure observed in the carbon 1 s ionization of seven hydrocarbons (methane, deuteromethane, ethane, ethene, deuteroethene, ethyne, and deuteroethyne), with good agreement between experi

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LEVEL PHOTOELECTRON-SPECTRA; SPECTROSCOPY; ENERGIES; PHOTOEMISSION; FREQUENCIES; MOLECULES; THRESHOLD; METHANE; EXCITATION; STATES

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