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Title:  Simple systematization of vibrational excitation crosssection calculations for resonant electronmolecule scattering in the boomerang and impulse models 
Authors:  SARMA, M ADHIKARI, S MISHRA, MK 
Keywords:  dependent schrodingerequation dissociative attachment energydependence impact h2 state n2 spectroscopy collisions 2sigmau 
Issue Date:  2007 
Publisher:  AMER INST PHYSICS 
Citation:  JOURNAL OF CHEMICAL PHYSICS, 126(4),  
Abstract:  Vibrational excitation (nu(f)<nu(i)) crosssections sigma(nu f)<nu(i)(E) in resonant eN2 and eH2 scattering are calculated from transition matrix elements Tnu f,nu(i)(E) obtained using Fourier transform of the cross correlation function <phi(nu f)(R)parallel to psi(nu i)(R,t)>, where psi(nu i)(R,t)similar or equal to e(A2)(iH)(R)t/h phi(nu i)(R) with time evolution under the influence of the resonance anionic Hamiltonian HA2()(A(2)()=N2()/H2()) implemented using Lanczos and fast Fourier transforms. The target (A(2)) vibrational eigenfunctions phi(nu i)(R) and phi(nu f)(R) are calculated using Fourier grid Hamiltonian method applied to potential energy (PE) curves of the neutral target. Application of this simple systematization to calculate vibrational structure in eN2 and eH2 scattering crosssections provides mechanistic insights into features underlying presence/absence of structure in eN2 and eH2 scattering crosssections. The results obtained with approximate PE curves are in reasonable agreement with experimental/calculated crosssection profiles, and cross correlation functions provide a simple demarcation between the boomerang and impulse models. (c) 2007 
URI:  http://dx.doi.org/10.1063/1.2431652 http://dspace.library.iitb.ac.in/xmlui/handle/10054/4451 http://hdl.handle.net/10054/4451 
ISSN:  00219606 
Appears in Collections:  Article

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