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arxiv: 1610.01942 · v1 · pith:HMNTRKCBnew · submitted 2016-10-06 · ⚛️ physics.atom-ph

Calculation of Stark resonance parameters for valence orbitals of the water molecule

classification ⚛️ physics.atom-ph
keywords fieldresonancecalculationelectricionizationorbitalsparametersstark
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An exterior complex scaling technique is applied to compute Stark resonance parameters for two molecular orbitals ($1b_{1}$ and $1b_{2}$) represented in the field-free limit in a single-center expansion. For electric DC field configurations that guarantee azimuthal symmetry of the solution the calculation is carried out by solving a two-dimensional partial differential equation in spherical polar coordinates using a finite-element method. The resonance positions and widths as a function of electric field strengths are shown for field strengths starting in the tunnelling ionization regime, and extending well into the over-barrier ionization region.

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