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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/100/1527

Title: Local complex potential based time dependent wave packet approach to calculation of vibrational excitation cross-sections in e-N-2, e-H-2 and e-CO scattering
Authors: SARMA, M
SINGH, RK
MISHRA, MK
Keywords: electron-molecule-scattering
dissociative attachment
resonance scattering
schrodinger-equation
boomerang model
dynamics
impact
h-2
h2
d2
Issue Date: 2007
Publisher: AMER INST PHYSICS
Citation: COMPUTATION IN MODERN SCIENCE AND ENGINEERING VOL 2, PTS A AND B,2,227-230
Abstract: Vibrational excitation cross-sections u(n <- m)(E) in resonant e-N-2, e-CO and e-H-2 scattering are calculated from transition matrix elements T-n <- m(E) obtained using Fourier transform of the cross correlation function <phi(R)psi(m)(R,t)> where psi(m)(R,t); e(-iHA-(R)t/h)phi(m)(R) . Time evolution under the influence of the resonance anionic Hamiltonian H-A-(A(-)=N-2(-)/CO/H-2(-)) is effected using Lanczos and fast Fourier transforms and the target (A) vibrational eigenfunctions phi(m)(R) and phi(n)(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.
URI: http://dspace.library.iitb.ac.in/xmlui/handle/10054/14742
http://hdl.handle.net/100/1527
ISBN: 978-0-7354-0476-2
ISSN: 0094-243X
Appears in Collections:Proceedings papers

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