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|Title:||The B-2(1) shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method|
|Publisher:||ELSEVIER SCIENCE BV|
|Citation:||CHEMICAL PHYSICS LETTERS, 296(1-2), 43-50|
|Abstract:||The zeroth order, second order, diagonal two particle one hole-Tamm Dancoff approximation and the corresponding quasi-particle decouplings of the dilated electron propagator have been applied to investigate the B-2(1), HCHO- shape resonance. The results from these calculations are in good agreement with the experimental and other theoretical results. The resonant orbital is shown to be the > C = O pi* orbital and the correlation and relaxation effects in conjunction with complex scaling assist resonance formation by lowering the antibonding nature of the > C = O pi* orbital to make it more suitable for metastable electron attachment. (C) 1998 .|
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