Abstract
The zeroth order ( Σ 0), the second order ( Σ 2), the diagonal two particle-one hole Tamm Dancoff approximation ( Σ 2ph-TDA) and the corresponding quasi-particle decouplings of the dilated electron propagator have been used to investigate the 2Π g C 2H 2 − shape resonance. The results compare favourably with the experimental and other theoretical results. A plot of the resonant Feynman–Dyson Amplitudes establishes that the capture of the impinging electron is indeed in the π ∗ g orbital of the acetylene molecule. The resonant orbital on the real line shows the attributes of the acetylene lowest unoccupied molecular orbital and for the optimal complex scaling parameter shows a depletion of electron density near the carbon nuclei.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.