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Application of higher order decouplings of the dilated electron propagator to 2ΠCO-, 2ΠgN2-and 2ΠgC2H2-shape resonancesPublished in
2001
DOI: 10.1063/1.1394754
Volume: 115
Issue: 10
Pages: 4549 - 4557
The outer valence Green's function (ΣOVGF3), quasiparticle third order (Σq3), and full third order (Σ3) decouplings of the bi-orthogonal dilated electron propagator were developed and tested for the first time for molecular resonances by applying these decouplings to investigate the 2ΠCO-, 2ΠgN2-, and 2ΠgC2H2-shape resonances. Overall, the resonances energies and widths obtained using the third and the second order decouplings are close to each other and to those obtained from the zeroth order decoupling.
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Content may be subject to copyright.This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publ... ...This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in [Application of higher order decouplings of the dilated electron propagator to 2? CO?, 2?g N2? and 2?g C2H2? shape resonances. The Journal of Chemical Physics 115, 10 p4549-4557 (2001)] and may be found at https://doi.org/10.1063/1.1394754.
About the journal
| Journal | Journal of Chemical Physics |
|---|---|
| ISSN | 00219606 |
Authors (1)
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