Monte Carlo Wave Packet Theory of Dissociative Double Ionization

Leth, Henriette Astrup; Madsen, Lars Bojer; Mølmer, Klaus

doi:10.1103/physrevlett.103.183601

Cited by 29 publications

(50 citation statements)

References 28 publications

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“…wavelengths, intensities, or pulse durations [8][9][10], nuclear dynamics in H 2 + were resolved by studying the nuclear kinetic energy release (KER) spectra following double ionization, i.e., full breakup of H 2 after removal of two electrons.…”

Section: Published By the American Physical Society Under The Terms Omentioning

confidence: 99%

“…Moreover, ideally, such a theory should facilitate an identification of the main physical mechanisms. To this end, one can resort to the Monte Carlo wave packet (MCWP) approach, which, in the context of strong-field physics, was first presented by Leth et al [10] for the description of nuclear motion in the presence of dissipative electron dynamics. Since then, this methodology has been validated in a number of cases.…”

Section: Published By the American Physical Society Under The Terms Omentioning

confidence: 99%

“…[10,18,[22][23][24][25][26]. In this work we extend it to obtain the nuclear KER spectrum of the protons following double ionization of H 2 in the two-color XUV-pump-IR-probe scheme where singly excited states in H 2 are involved.…”

Section: A the Mcwp Approachmentioning

confidence: 99%

“…in a given charge state to the electronic states |φ el R,n in the system with one electron less [10,18], i.e.,…”

Section: A the Mcwp Approachmentioning

confidence: 99%

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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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Section: Published By the American Physical Society Under The Terms Omentioning

confidence: 99%

Section: Published By the American Physical Society Under The Terms Omentioning

confidence: 99%

Section: A the Mcwp Approachmentioning

confidence: 99%

“…in a given charge state to the electronic states |φ el R,n in the system with one electron less [10,18], i.e.,…”

Section: A the Mcwp Approachmentioning

confidence: 99%

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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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“…The interplay of electronic levels, i.e., the 1sσ g and 2pσ u electronic states, in the strong-field multiphoton ionization dynamics of H + 2 , was recently investigated both experimentally [2,3] and theoretically [4,5], applying near-infrared laser pulses a few tens of fs of duration. The observed modulations in the resulting kinetic energy release (KER) spectra of the Coulomb exploding nuclei were interpreted as a multiple pathway interference effect [3].…”

Section: The Hydrogen Molecular Ion (H +mentioning

confidence: 99%

Probing two-center interference in H2+using chirped pulses

Askeland

Førre

2013

Phys. Rev. A

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The influence of intermediate resonant dissociative channels in the few-photon ionization dynamics of H + 2 is demonstrated in a pump-probe scenario. Two-photon ionization of H + 2 by two sequentially applied pump and probe vuv/fs 10 11 W/cm 2 laser pulses is reported. The kinetic energy distribution of the ejected protons is calculated by solving the time-dependent Schrödinger equation within the Born-Oppenheimer approximation, including the electronic three-dimensional and vibrational one-dimensional motion. Population is effectively transferred from the 1sσg to the 3pσu potential surface, via resonant one-photon absorption, by applying a chirped pump pulse. The molecule is ultimately ionized by the probe pulse. It is found that a double-peaked structure appears in the resulting kinetic energy release spectra of the nuclear fragments. A corresponding modulated structure also appears in the dissociative channels, merely demonstrating that the double-peaked structure in the spectra originates from the molecular 1sσg-3pσu electronic dynamics, and an inherent twocenter interference in the underlying electric dipole coupling. It turns out that the dipole coupling between the 1sσg and 3pσu electronic states vanishes at an internuclear distance of 2.25 a.u., i.e., close to the equilibrium internuclear separation. The resulting node in the R-dependent dipole coupling imposes a minimum in the corresponding kinetic energy release spectra of the dissociating nuclei. By creating a negative or positive chirp in the applied pump pulse, it is found that the modulations can be made more or less salient.

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