Local Complex Potential Based Time Dependent Wave Packet Approach to Calculation of Vibrational Excitation Cross-sections in e-N[sub 2], e-H[sub 2] and e-CO Scattering

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Vibrational excitation cross‐sections σn←m(E) in resonant e‐N2, e–CO and e–H2 scattering are calculated from transition matrix elements Tn←m(E) obtained using Fourier transform of the cross correlation function 〈φn(R)|ψm(R,t)〉 where ψm(R,t); e−iHA−(R)t/ℏφm(R). Time evolution under the influence of the resonance anionic Hamiltonian HA−(A− = N2−/CO/H2−) is effected using Lanczos and fast Fourier transforms and the target (A) vibrational eigenfunctions φm(R) and φn(R) are calculated using Fourier grid Hamiltonian method applied to PE curve of the neutral target. The resulting vibrational excitation cross‐section profiles provide reasonable agreement with experimental results and the cross correlation functions offer an unequivocal differentiation between the boomerang and impulse models.