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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/8757

Title: Approximate construction of local complex potentials for a time dependent wave packet based treatment of vibrational excitation cross-sections in resonant e-N-2, e-CO and e-H-2 scattering
Authors: SINGH, RK
SARMA, M
MISHRA, MK
Keywords: electron-molecule-scattering
dissociative attachment
schrodinger-equation
energy-dependence
shape resonance
boomerang model
impact
h-2
h2
transmission
Issue Date: 2007
Publisher: INDIAN ASSOC CULTIVATION SCIENCE
Citation: INDIAN JOURNAL OF PHYSICS AND PROCEEDINGS OF THE INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE, 81(10), 983-1002
Abstract: Approximation schemes based on the use of experimental data to fit a Morse potential as the target PE curve EA(R) and chemically motivated parameterization schemes based on changes induced by electron-capture in the antibonding LUMO of the target (A) leading to lowering of bond order in the metastable anion (A(-)) and thereby larger bond length, lower dissociation energy, and force constant for the resonant compound anion to construct a Morse PE curve EA-(R) followed by the use of an exponentially decaying Gamma(A-) (R) which goes to zero at the crossing point between E-A (R) and EA- (R) to construct the anionic width function Gamma(A-) (R) such that the local complex potential (LCP) for the resonant anion WA- (R) is given by WA- (R) = EA- (R) - (i/2) Gamma(A-) (R) have been used to gain insight into the formation and decay of (2)Pi(g) N-2(-), (2)Pi Co- and 2 Sigma(+)(u) H-2(-) shape resonances. An analysis of the vibrational excitation cross-sections obtained from the use of these approximate LCPs in a time dependent wave packet scheme shows that the chemically motivated construction of the anionic LCP WA- (R), can be quite effective.
URI: http://dspace.library.iitb.ac.in/xmlui/handle/10054/8757
http://hdl.handle.net/10054/8757
ISSN: 0973-1458
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