Weak-field asymptotic theory of tunneling ionization in many-electron atomic and molecular systems

Tolstikhin, Oleg I.; Madsen, Lars Bojer; Morishita, Tōru

doi:10.1103/physreva.89.013421

Cited by 56 publications

(72 citation statements)

References 76 publications

(220 reference statements)

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“…48 In the case of the non-degenerate HOMO-1 (a 1 symmetry) U = 0 by symmetry and V is obtained as described above. The HOMO-2 of all CH 3 X molecules are degenerate (e symmetry) and were treated in the same way as the HOMO.…”

Section: 18mentioning

confidence: 99%

Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series

et al. 2015

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We report angle-and momentum-resolved measurements of the dissociative ionization and Coulomb explosion of methyl halides (CH 3 F, CH 3 Cl, CH 3 Br, CH 3 I) in intense phase-controlled two-color laser fields. At moderate laser intensities we find that the emission asymmetry of low-energy CH + 3 fragments from the CH + 3 + X + (X = F,Cl,Br,I) channel reflects the asymmetry of the highest occupied molecular orbital of the neutral molecule with important contributions from the Stark effect. This asymmetry is correctly predicted by the weak-field asymptotic theory, provided that the Stark effect on the ionization potentials is calculated using a non-perturbative multi-electron approach. In the case of high laser intensities we observe a reversal of the emission asymmetries for high-energy CH + 3 fragments, originating from the dissociation of CH 3 X q+ with q ≥ 2. We propose ionization to electronically-excited states to be at the origin of the reversed asymmetries. We also report the measurements of the emission asymmetry of H + 3 which is found to be identical to that of the low-energy CH + 3 fragments measured at moderate laser intensities. All observed fragmentation channels are assigned with the help of CCSD(T) calculations. Our results provide a benchmark for theories of strong-field processes and demonstrate the importance of multi-electron effects in new aspects of the molecular response to intense laser fields.

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Section: 18mentioning

confidence: 99%

Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series

et al. 2015

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“…Within the SAEA, the present tunneling data provided for H 2 O are of unprecedented precision. It will be interesting to see in the future if the inclusion of many-electron effects [26] has an impact on the tunneling ionization of H 2 O.…”

Section: Discussionmentioning

confidence: 99%

“…The comparison with exact results for atoms within the SAEA showed that these terms extend the region of applicability of the WFAT at the quantitative level toward stronger fields, practically up to the boundary between tunneling and over-the-barrier ionization regimes. Very recently, extensions of the WFAT to account for the effects of nuclear motion were considered [24,25] and a generalization to many-electron systems in the frozen-nuclei approximation was developed [26].…”

Section: Introductionmentioning

confidence: 99%

Application of the weak-field asymptotic theory to tunneling ionization ofH2O

et al. 2014

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The weak-field asymptotic theory of tunneling ionization in a static electric field is applied to H 2 O. The orientation dependence of the ionization rate is studied. The use of polarization-consistent basis sets with up to heptuble-zeta accuracy and variationally optimized exponents improves the asymptotic form of the wave function and allows for an accurate extraction of the structure factor defining the ionization rate. The results are presented based on Hartree-Fock wave functions and density functional theory. The density functional theory reproduces closely the experimental vertical ionization potential. We find that the rate peaks at an angle of 81 • between the field and molecular principal inertial axis through the O atom. The predictions for the orientation dependence of the rate are compared to available theoretical results.

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“…1 and the Keldysh parameter γ for this state should be smaller than 1 [33]. Apart from numerically solving the TDSE [34], methods such as the molecular Ammosov-Delone-Krainov theory [35,36] and the weak-field asymptotic theory [37][38][39][40][41] have been developed to obtain analytical formulas for the tunneling ionization rates for molecules. The tunneling ionization rates from the two lowest electronic states in H 2 + , i.e, the 1sσ g and 2pσ u states, were ab initio values taken from Ref.…”

Section: A the Mcwp Approachmentioning

confidence: 99%

Monte Carlo wave-packet approach to trace nuclear dynamics in molecular excited states by XUV-pump–IR-probe spectroscopy

et al. 2018

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Recent research interests have been raised in uncovering and controlling ultrafast dynamics in excited neutral molecules. In this work we generalize the Monte Carlo wave packet (MCWP) approach to XUV-pump-IR-probe schemes to simulate the process of dissociative double ionization of H 2 where singly excited states in H 2 are involved. The XUV pulse is chosen to resonantly excite the initial ground state of H 2 to the lowest excited electronic state of the MCWP approach, a sampling method is proposed to determine in time the dominant ionization events from H 2 to H 2 + . By conducting a trajectory analysis, which is a unique possibility within the MCWP approach, the origins of the characteristic features in the nuclear kinetic energy release spectra are identified for delays ranging from 0 to 140 fs and the nuclear dynamics in the singly excited states in H 2 is mapped out.

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Weak-field asymptotic theory of tunneling ionization in many-electron atomic and molecular systems

Cited by 56 publications

References 76 publications

Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series

Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series

Application of the weak-field asymptotic theory to tunneling ionization ofH2O

Monte Carlo wave-packet approach to trace nuclear dynamics in molecular excited states by XUV-pump–IR-probe spectroscopy

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