Optical potentials for electron-molecule scattering: A comparative study on the N sub 2 sup 2. Pi. sub g resonance
Journal Article
·
· Physical Review (Section) A: General Physics; (USA)
- Theoretische Chemie, Physikalisch-Chemisches Institut, Universitaet Heidelberg, Im Neuenheimer Feld 253, D-6900 Heidelberg, Federal Republic of Germany (DE)
The N{sub 2} {sup 2}{Pi}{sub g} resonance is investigated using optical potentials that are derived by a Green's-function approach. The optical potentials are computed with the aid of the algebraic diagrammatic construction (ADC). Three different approximations (second-order, two-particle-hole Tamm-Dancoff approximation and the third-order ADC scheme (ADC(3))) to the optical potential are investigated. The ADC(3) approximation is applied here for the first time to the electron-molecule scattering problem. Scattering calculations are performed and the resonance parameters are obtained from a phase-shift analysis. The results are very satisfactory in particular because they demonstrate the balanced treatment of the ground-state correlation and the correlation in the temporarily formed anionic state.
- OSTI ID:
- 5149945
- Journal Information:
- Physical Review (Section) A: General Physics; (USA), Journal Name: Physical Review (Section) A: General Physics; (USA) Vol. 40:10; ISSN PLRAA; ISSN 0556-2791
- Country of Publication:
- United States
- Language:
- English
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