Physical review. A/Physical review, A · 2017 · 37 citations · 40 references
Natural SciencesChemistryPhysicsMolecular PhysicsQuantum ChemistryQuantum MechanicsAtomic IonizationMolecular Orbital TheoryQuantum TunnelingStark EffectField IonizationIonizationIonization DynamicsNonpolar SolventsNumerical Solutions Of Partial Differential EquationsStark Effect In MoleculesStrong-field IonizationTunneling Ionization
We present a detailed theoretical investigation on strong-field ionization of polar (CO and NO) as well as nonpolar molecules (${\mathrm{N}}_{2}, {\mathrm{O}}_{2}$, and ${\mathrm{CO}}_{2}$). Our results indicate that accounting for the Stark correction in the molecular tunneling ionization theory leads to overall fairly good agreements with numerical solutions of the time-dependent Schr\"odinger equation. Furthermore, we show that the effect of dynamic core-electron polarization, in general, has a weak influence on the angle-dependent ionization probability. However, in the case of CO we confirm the recent finding by B. Zhang, J. Yuan, and Z. Zhao [Phys. Rev. Lett. 111, 163001 (2013)] that accounting for dynamic core-polarization is crucial to achieving an overall good agreement with experiments.
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