Medikeri, Milan N. ; Mishra, Manoj K. (1994) Treatment of molecular resonances using the bi-orthogonal dilated electron propagator with application to the 2IIg shape resonance in e-N2 scattering International Journal of Quantum Chemistry, 52 (S28). pp. 29-37. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.560...
Related URL: http://dx.doi.org/10.1002/qua.560520807
Abstract
Preliminary results from the first application of the bi-orthogonal dilated electron propagator to the treatment of molecular resonances are presented for the energy and the width of the 2IIg shape resonance in e-N2 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 N2. 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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| ID Code: | 20181 |
| Deposited On: | 20 Nov 2010 14:54 |
| Last Modified: | 08 Jun 2011 04:44 |
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