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• W4286221729 abstract "We developed a full quantum time-dependent wave-packet evolution method to simulate the multibody breakups of polyatomic molecular ions. The interaction picture theory was used to propagate the wave packet, where the effects of strong and long-range interactions are considered by basis functions and the weak and short-range interactions are included in the perturbation term. In this method, the Coulomb interactions, polycentric interactions, vibration-rotation coupling of molecular fragments, and the rotation-rotation coupling between molecular fragment and parent molecule are considered accurately. Using this method, we simulate the two-body breakups of ${mathrm{H}}_{2}{mathrm{Ar}}^{2+}$ and ${mathrm{N}}_{2}{mathrm{Ar}}^{2+}$. The simulated results show that the ultrafast rotation of the molecular fragment generally exists in the breakup of the polyatomic molecular ion. For ${mathrm{H}}_{2}{mathrm{Ar}}^{2+}, {mathrm{H}}_{2}^{+}$ can rotate from an initial broad distribution around ${35}^{ensuremath{circ}}$ and ${145}^{ensuremath{circ}}$ to a narrow distribution around ${75}^{ensuremath{circ}}$ and ${105}^{ensuremath{circ}}$ within 30 fs. For ${mathrm{N}}_{2}{mathrm{Ar}}^{2+}$, the initial sine-shaped angular distribution ($j$ = 0) shrinks to a narrow range (${90}^{ensuremath{circ}}ifmmodepmelsetextpmfi{}{20}^{ensuremath{circ}}$) within 120 fs and then spreads to an approximately random distribution within 300 fs. Such ultrafast rotations are dominated by the polycentric interaction between fragments and impacted by the vibration-rotation and rotation-rotation couplings." @default.
• W4286221729 created "2022-07-21" @default.
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• W4286221729 date "2022-07-19" @default.
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• W4286221729 title "Full quantum time-dependent simulations for the two-body breakups of <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi mathvariant=normal>H</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msup><mml:mrow><mml:mi>Ar</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math> and <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi mathvariant=normal>N</mml:mi><mml:mn>2</mml:mn></mml:…" @default.
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• W4286221729 doi "https://doi.org/10.1103/physreva.106.012814" @default.
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