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- W2077676273 abstract "Vibrational excitation cross-sections $sigma_{nu_f leftarrow nu_i } (E)$ in resonant e-F2 and HCl scattering are calculated from transition matrix elements $T_{nu_f leftarrow nu_i } (E)$ obtained using Fourier transform of the cross correlation function $leftlangle {phi_{nu_f } left( R right)vert Psi_{nu_i } left( {R,t} right)} rightrangle $ where $Psi_{nu_i } left( {R,t} right)approx e^{-ihbar H_{AB^-} left( R right)t}phi_{nu { }_i} left( R right)$ . Time evolution under the influence of the resonance anionic Hamiltonian H AB - (AB=F2/HCl) is effected using Lanczos reduction technique followed by fast Fourier transform and the target (AB) vibrational eigenfunctions $phi _{nu_i } left( R right)$ and $phi_{nu_f } left( R right)$ are calculated using Fourier grid Hamiltonian method applied to potential energy (PE) curve of the neutral target. The resulting vibrational excitation cross-sections provide reasonable agreement with experimental and other theoretical results." @default.
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- W2077676273 date "2012-01-01" @default.
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- W2077676273 title "Vibrational excitation resulting from electron capture in LUMO of F2 and HCl – A treatment using the time-dependent wave packet approach#" @default.
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- W2077676273 doi "https://doi.org/10.1007/s12039-011-0201-5" @default.
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