Resonant Auger Decay of Molecules in Intense X-Ray Laser Fields: Light-Induced Strong Nonadiabatic Effects

Cederbaum, Lorenz S.; Chiang, Ying‐Chih; Demekhin, Ph. V.; Moiseyev, Nimrod

doi:10.1103/physrevlett.106.123001

Cited by 65 publications

(75 citation statements)

References 16 publications

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“…In order to solve the time-dependent Schrödinger equation for the hydrogen atom interacting with a pulse we have used in our recent work [10] a previously developed theoretical approach [16][17][18][19][20][21]. In this approach the total wave function is expanded in terms of the full set of the field-free stationary states of the system.…”

Section: Introductionmentioning

confidence: 99%

Photoionization of hydrogen atoms by coherent intense high-frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

2013

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The time-dependent Schrödinger equation for the hydrogen atom and its interaction with coherent intense high-frequency short laser pulses is solved numerically exactly by propagating the singleelectron wave packets. Thereby, the wavefunction is followed in space and time for times longer than the pulse duration. Results are explicitly shown for 3 and 10 fs pulses. Particular attention is paid to identifying the effect of dynamic interference of photoelectrons emitted with the same kinetic energy at different times during the rising and falling sides of the pulse predicted in [Ph.V. Demekhin and L.S. Cederbaum, Phys. Rev. Lett. 108, 253001 (2012)]. In order to be able to see the dynamic interference pattern in the computed electron spectra, the photoelectron wave packet has to be propagated over long distances. Clearly, complex absorption potentials often employed to compute spectra of emitted particles cannot be used to detect dynamic interference. For the considered high-frequency pulses of 3 and 10 fs durations, this requires enormously large spatial grids. The presently computed photoionization and above-threshold ionization spectra are found to exhibit pronounced dynamic interference patterns. Where available, the patterns are in very good agreement with previously published results on the photoionization spectra which have been computed using a completely different method, thus supporting the previously made assumption that the above-threshold ionization processes are very weak for the considered pulse intensities and high carrier frequency. The quiver motion in space and time of a free electron in strong laser pulses is also investigated numerically. Finally, a discussion is presented of how fast the atom is ionized by an intense pulse.

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Section: Introductionmentioning

confidence: 99%

Photoionization of hydrogen atoms by coherent intense high-frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

2013

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“…Similarly to Refs. [4,9,24], we imply the rotating wave approximation [25], the local approximation [26,27], and redefine ('dress') the time dependent wave packets of the resonant and final ionic states as follows…”

Section: A Nuclear Dynamics Hamiltonianmentioning

confidence: 99%

“…[9], whereas the leakages and interference effects mentioned above for atoms were not taken into account explicitly for transparency of presentation.…”

Section: Introductionmentioning

confidence: 99%

“…For this purpose we unify the previously developed theoretical approaches for RA in atoms [4] and for molecules [9].…”

Section: Introductionmentioning

confidence: 99%

“…One can expect that these modifications will even further enhance the non-adiabatic effects caused by the appearance of the analogue of a conical intersection of the complex PESs. In our previous study [9], the case of excitation of the dissociative HCl * (2p −1 σ * ) resonant state and its subsequent RA decay into one of the dissociative final states has been investigated. There, the nuclear dynamics accompanying the RA decay result in the fragmentation of of the HCl molecule, and, as a consequence, a rather simple RA spectrum appears.…”

Section: Introductionmentioning

confidence: 99%

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Resonant Auger decay of the core-excited C*O molecule in intense x-ray laser fields

2011

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The dynamics of the resonant Auger (RA) process of the core-excited C * O(1s −1 π * , v r = 0) molecule in an intense X-ray laser field is studied theoretically. The theoretical approach includes the analogue of the conical intersections of the complex potential energy surfaces of the ground and 'dressed' resonant states due to intense X-ray pulses, taking into account the decay of the resonance and the direct photoionization of the ground state, both populating the same final ionic states coherently, as well as the direct photoionization of the resonance state itself. The light-induced non-adiabatic effect of the analogue of the conical intersections of the resulting complex potential energy surfaces gives rise to strong coupling between the electronic, vibrational and rotational degrees of freedom of the diatomic CO molecule. The interplay of the direct photoionization of the ground state and of the decay of the resonance increases dramatically with the field intensity.The coherent population of a final ionic state via both the direct photoionization and the resonant Auger decay channels induces strong interference effects with distinct patterns in the RA electron spectra. The individual impact of these physical processes on the total electron yield and on the CO + (A 2 Π) electron spectrum are demonstrated.

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The role of geometric phase in dissociation dynamics of the molecule

Gao

Ren

Liu

et al. 2021

Int J of Quantum Chemistry

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This work explores the role of geometric phase (GP), which results from light induced conical intersection (LICI), in photodissociation process of the D þ 2 molecule through solving the time-dependent Schrödinger equation. The dissociation results between two cases including GP and excluding GP are compared. Different from the case including GP, the angular distribution of photofragments excluding GP is nonvanishing at θ ¼ π=2 which is the angle between the molecular axis and the polarization direction of laser field. Furthermore, in strong field, when the initial vibrational energy is higher than the energy of LICI point, not only the photofragments distributions present obvious quantum interference structures, but also the angular distributions of the photofragments of two cases have opposite oscillatory structure around θ ¼ π=2. This also shows that the GP effect and nonadiabatic effect of LICI are unified in photodissociation processes.

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Resonant Auger Decay of Molecules in Intense X-Ray Laser Fields: Light-Induced Strong Nonadiabatic Effects

Cited by 65 publications

References 16 publications

Photoionization of hydrogen atoms by coherent intense high-frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

Photoionization of hydrogen atoms by coherent intense high-frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

Resonant Auger decay of the core-excited C*O molecule in intense x-ray laser fields

The role of geometric phase in dissociation dynamics of the molecule

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