Photoelectron vertical excitations of the C4- linear cluster are determined using the first-order correlation orbital method and the coupled cluster method. Excitation energies for the calculated states of C4- are, respectively: 1.24 eV (2Σg+), 1.63 eV (2Σu+), 2.91 eV (2Πu), 3.45 eV (4Πu), 3.78 eV ((2) 2Πu) and 5.16 eV (2Φu). The first four excitations are below the electron ejection threshold of 3.75 eV, the fifth lies at the threshold, and the sixth is a metastable state.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry