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- W2080307142 abstract "A second-order, coordinate-rotated propagator is applied to a calculation of the resonance energy and width of the 1–5-eV 2IIg shape resonance observed for the nitrogen molecule. Using a [4s,9p] basis of contracted Gaussians we obtain the resonance energy, E = 2.14 eV, and width, Γ = 0.27 eV. These results (my first for a molecular system) are in excellent agreement with available experimental data. The results obtained support my claim that the coordinate-rotated propagator can provide a tractable, simple, and efficient means of performing computations on atomic and molecular shape resonances." @default.
- W2080307142 created "2016-06-24" @default.
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- W2080307142 date "2009-06-19" @default.
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- W2080307142 title "Coordinate-rotated propagator calculation on an N2 shape resonance" @default.
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- W2080307142 doi "https://doi.org/10.1002/qua.560220857" @default.
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