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Assessing the options for identifying critically important potential surface regions: Applications to nonadiabatic transitions

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Title Assessing the options for identifying critically important potential surface regions: Applications to nonadiabatic transitions
 
Creator MISHRA, MK
PADMAVATHI, DA
RABITZ, HA
 
Subject electronic states
alkali atoms
collisions
sensitivity
scattering
he++ne
 
Description Results from close coupling sensitivity density-based analyses are compared for some representative nonadiabatic collisions with those from Landau-Zener-Stueckelberg (LZS) and adiabatic analyses. These results seem to indicate that while for simple systems modeled by potential energy curves devoid of competing features LZS and adiabatic approaches also offer qualitatively correct insights these can be misleading for dynamics evolving on potential energy curves with competing features. The close-coupling sensitivity densities seem to offer a more reliable guide for detailed understanding of the impact of structure in potential energy curves and coupling matrix elements in the collisional outcome. (C) 1997 , Inc.
 
Publisher JOHN WILEY & SONS INC
 
Date 2011-08-04T10:48:44Z
2011-12-26T12:54:41Z
2011-12-27T05:42:51Z
2011-08-04T10:48:44Z
2011-12-26T12:54:41Z
2011-12-27T05:42:51Z
1997
 
Type Article
 
Identifier INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 63(1), 121-131
0020-7608
http://dx.doi.org/10.1002/(SICI)1097-461X(1997)63:1<121::AID-QUA16>3.0.CO;2-F
http://dspace.library.iitb.ac.in/xmlui/handle/10054/9335
http://hdl.handle.net/10054/9335
 
Language en