Record Details

Treatment of molecular resonances using the biorthogonal dilated electron propagator with application to the (2)PI(G) shape resonance in E-N-2 scattering

DSpace at IIT Bombay

View Archive Info
 
 
Field Value
 
Title Treatment of molecular resonances using the biorthogonal dilated electron propagator with application to the (2)PI(G) shape resonance in E-N-2 scattering
 
Creator MEDIKERI, MN
MISHRA, MK
 
Subject temporary anion states
e-ca scattering
excited-states
2nd order
e-be
e-mg
approximation
hydrocarbons
potentials
abinitio
 
Description Preliminary results from the first application of the bi-orthogonal dilated electron propagator to the treatment of molecular resonances are presented far the energy and the width of the (2) Pi(g) shape resonance in e-N-2 scattering. The corresponding resonant Feynman-Dyson amplitudes (FDAs) are plotted to get a quantitative affirmation of the topology of the lowest unoccupied molecular orbital (LUMO) for N-2. It is shown that a plot of the resonant FDAs Offer new insights into the role of correlation in the formation and decay of molecular shape resonances. (C) 1994 John Wiley & Sons, Inc.
 
Publisher JOHN WILEY & SONS INC
 
Date 2011-10-25T06:56:06Z
2011-12-15T09:11:35Z
2011-10-25T06:56:06Z
2011-12-15T09:11:35Z
1994
 
Type Article; Proceedings Paper
 
Identifier INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,29-37
0020-7608
http://dspace.library.iitb.ac.in/xmlui/handle/10054/15638
http://hdl.handle.net/100/2164
 
Source International Symposium on Atomic, Molecular, and condensed Matter Theory and Computational Methods,PONTE VEDRA BEACH, FL,FEB 12-19, 1994
 
Language English