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A PROBE OF DYNAMICAL MODELS USING FUNCTIONAL SENSITIVITY DENSITIES WITH APPLICATION TO HE+ PLUS NE(2P(6))-]HE+ PLUS NE(2P(5)3S) AND LI+I-]LI+ PLUS I-

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Title A PROBE OF DYNAMICAL MODELS USING FUNCTIONAL SENSITIVITY DENSITIES WITH APPLICATION TO HE+ PLUS NE(2P(6))-]HE+ PLUS NE(2P(5)3S) AND LI+I-]LI+ PLUS I-
 
Creator PADMAVATHI, DA
MISHRA, MK
RABITZ, H
 
Subject potential structure
nonadiabatic collisions
electronic-transitions
functional sensitivity densities
nonadiabatic collisions
diabatic potential energy curves
 
Description The functional sensitivity densities delta ln sigma(12)(E)/delta ln V-ii(R) for He+ + Ne(2p(6)) --> He+ + Ne(2p(5)3s) reveal that the collisional excitation cross section sigma(12)(E) is insensitive to the additional diabatic curve V-33 included in some models. The negligible sensitivity sigma(12)(E) to V-33 offers a quantitative validation of the more popular two state model for collisional excitation of Ne by He+. The sensitivity profiles for the collisional ionization Li + I --> Li+ + I- modeled by crossing diabatic curves V-11 (covalent) and V-22 (ionic) shows that the ionization cross section does not depend on inner crossings even when these stem from large distortions in the underlying potential energy curves. The lack of sensitivity to inner crossings establishes the predominant role of the outermost crossing in triggering nonadiabatic transitions.
 
Publisher SPRINGER VERLAG
 
Date 2011-08-30T07:32:34Z
2011-12-26T12:58:50Z
2011-12-27T05:49:25Z
2011-08-30T07:32:34Z
2011-12-26T12:58:50Z
2011-12-27T05:49:25Z
1995
 
Type Article
 
Identifier THEORETICA CHIMICA ACTA, 90(5-6), 323-329
0040-5744
http://dx.doi.org/10.1007/BF01113539
http://dspace.library.iitb.ac.in/xmlui/handle/10054/12237
http://hdl.handle.net/10054/12237
 
Language en