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- W2092507828 abstract "A complete scattering-theoretic description of the $^{2}mathrm{ensuremath{Sigma}}_{mathrm{u}}^{+}$ shape resonance in fixed-nuclei electron-${mathrm{H}}_{2}$ scattering is given within the framework of the projection-operator formalism of Feshbach. Polarization and correlation effects are included via the many-body optical-potential approach using the two-particle-hole Tamm-Dancoff approximation. The calculations result in a well-defined and physically meaningful separation of the T matrix and the eigenphase sum into a smooth background term and a resonant term, which varies rapidly with energy and internuclear distance. T matrices, eigenphase sums, and Feshbach resonance parameters ${ensuremath{epsilon}}_{d}$, ensuremath{Gamma}(E), and ensuremath{Delta}(E) are obtained for a range of internuclear distances extending from the equilibrium distance of ${mathrm{H}}_{2}$ to 2.75 a.u. These fixed-nuclei data provide the basis for the ab initio calculation of cross sections for vibrational excitation and dissociative attachment in ${mathrm{H}}_{2}$ beyond the local-complex-potential approximation, to be reported in a forthcoming paper." @default.
- W2092507828 created "2016-06-24" @default.
- W2092507828 creator A5016274435 @default.
- W2092507828 creator A5066970644 @default.
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- W2092507828 date "1985-02-01" @default.
- W2092507828 modified "2023-09-26" @default.
- W2092507828 title "Projection-operator calculations for molecular shape resonances: The<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant=normal>Σ</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant=normal>u</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow><mml:mrow /><mml:mrow /><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>resonance…" @default.
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- W2092507828 doi "https://doi.org/10.1103/physreva.31.641" @default.
- W2092507828 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9895534" @default.
- W2092507828 hasPublicationYear "1985" @default.
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