Excitation to symmetry forbidden vibronic levels in the 1B2u state by controlled electron impact on benzene

Kawazumi, Hirofumi; Oomori, Takayuki; Yamani, Naoki; Ogawa, Teiichiro

doi:10.1016/0009-2614(84)80311-5

Cited by 8 publications

(1 citation statement)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[17][18][19] Total integral cross sections over a broad range of energies were also measured recently. 20,21 The theoretical and computational efforts, on the other hand, have been much more limited for the obvious reason of target complexity.…”

Section: Introductionmentioning

confidence: 99%

One-electron resonances and computed cross sections in electron scattering from the benzene molecule

Gianturco¹,

Lucchese

1998

The Journal of Chemical Physics

View full text Add to dashboard Cite

One-electron resonances arising in electron scattering processes from a nonlinear polyatomic target, the benzene molecule, have been examined using various related methods. First, we have carried out calculations over a broad range of collision energies ͑from about 0.001 eV up to about 30 eV͒ by solving the scattering equations which use a parameter-free exact-static-exchangeplus-correlation-polarization potential to treat the electron-molecule interaction in all scattering symmetries. The entire range of features produced by the calculations was then related to specific structural properties of the scattering functions which give rise to the resonances. This analysis was done by using wave functions obtained with a local model potential approximation to the full potential used in the scattering calculations. These scattering functions were also related to the virtual orbitals obtained from a minimum basis set self-consistent field calculation. Additionally, for each resonant state found in this study we related the energy and width of the resonance to the partial wave components of the nearly adiabatic potential energy curve of the appropriate symmetry generated from the local model potential.

show abstract