The 2Πg shape resonance in electron-acetylene scattering: an investigation using the dilated electron propagator method
DSpace at IIT Bombay
View Archive InfoField | Value | |
Title |
The 2Πg shape resonance in electron-acetylene scattering: an investigation using the dilated electron propagator method
|
|
Creator |
VENKATNATHAN, ARUN
MISHRA, MK |
|
Subject |
molecule-electron collisions
resonant states rpa calculations |
|
Description |
The zeroth order (Σ0), the second order (Σ2), the diagonal two particle-one hole Tamm Dancoff approximation (Σ2ph-TDA) and the corresponding quasi-particle decouplings of the dilated electron propagator have been used to investigate the 2Πg C2H2- shape resonance. The results compare favourably with the experimental and other theoretical results. A plot of the resonant Feynman-Dyson amplitudes establishes that the capture of the impinging electron is indeed in the πg* orbital of the acetylene molecule. The resonant orbital on the real line shows the attributes of the acetylene lowest unoccupied molecular orbital and for the optimal complex scaling parameter shows a depletion of electron density near the carbon nuclei.
|
|
Publisher |
Elsevier
|
|
Date |
2009-03-02T09:26:18Z
2011-11-25T18:11:06Z 2011-12-26T13:06:35Z 2011-12-27T05:54:35Z 2009-03-02T09:26:18Z 2011-11-25T18:11:06Z 2011-12-26T13:06:35Z 2011-12-27T05:54:35Z 1998 |
|
Type |
Article
|
|
Identifier |
Chemical Physics Letters 296(3-4), 223-232
0009-2614 http://dx.doi.org/10.1016/S0009-2614(98)01065-3 http://hdl.handle.net/10054/820 http://dspace.library.iitb.ac.in/xmlui/handle/10054/820 |
|
Language |
en
|
|