Time-dependent calculations of double photoionization of the aligned H<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>molecule

Ivanov, Igor; Kheifets, Anatoli

doi:10.1103/physreva.85.013406

Cited by 22 publications

(32 citation statements)

References 37 publications

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“…That something interesting might be occurring near the point θ = 100 • could be inferred already from the behavior of the triply differential cross sections (TDCSs). TDCSs for this particular geometry and energy sharing have been computed by various methods [16,[22][23][24], all producing very similar results. In our work [16] we employed a different gauge and pulse shape to describe the effect of the laser pulse on the molecule.…”

Section: Theory and Resultsmentioning

confidence: 95%

“…TDCSs for this particular geometry and energy sharing have been computed by various methods [16,[22][23][24], all producing very similar results. In our work [16] we employed a different gauge and pulse shape to describe the effect of the laser pulse on the molecule. The present calculation provided us therefore with a useful check of the accuracy of our calculations.…”

Section: Theory and Resultsmentioning

confidence: 95%

“…Electron energies are E 1 = E 2 = 12.2 eV. Present calculation and our previous calculation[16] employing different gauges and pulse shapes are shown in (red) solid, and (green) dashed lines, respectively. (Blue) short dashed line: work[24]; (magenta) dots: results of the work[23].…”

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confidence: 88%

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Double photoionization of the hydrogen molecule from the viewpoint of the time-delay theory

Ivanov

2012

Phys. Rev. A

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We studied angular dependency of the time delay in one-photon two-electron photoionization of the hydrogen molecule. Time delay as a function of the angle between velocities of the escaping electrons was shown to have poles at the point corresponding to the kinematic nodes of the reaction. Study of the delay in the vicinity of a pole can provide information about phases of the amplitudes of the reaction.

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Section: Theory and Resultsmentioning

confidence: 95%

Section: Theory and Resultsmentioning

confidence: 95%

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Double photoionization of the hydrogen molecule from the viewpoint of the time-delay theory

Ivanov

2012

Phys. Rev. A

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“…Considering now the investigation of total doubleionization cross sections of oriented molecules, one only finds the case of photon-induced double ionization recently treated by Ivanov and Kheifets [41] who used the timedependent Schrödinger equation for calculating the total double-ionization cross sections of H 2 . Besides, perpendicular to parallel photon-induced double-ionization cross-section ratios were also reported by Vanroose et al [42] and compared to their homologous cross-section ratios obtained by single photoionization.…”

Section: Introductionmentioning

confidence: 99%

Electron-induced double ionization of isolated water molecules

2013

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Theoretical doubly differential and total cross sections for electron-induced double ionization of oriented water molecules are reported here. The calculations are performed within the first Born approximation by describing the initial molecular state by means of single-center wave functions. Furthermore, the incident (scattered) electron is described by a plane wave while a Coulomb wave function is used for modeling the two secondary ejected electrons. The contribution of each final state to the double-ionization process is analyzed, namely, in considering target electrons ejected either from similar or from different molecular subshells. Thus, secondary electron energetic distributions as well as total cross sections are reported for particular target configurations, pointing out orientation effects in the double-ionization process

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“…To assure numerical accuracy of our DPI calculations, we employ two complementary computational methods. In the first method, we solve the molecular time-dependent Schrödinger equation (TDSE) in spherical coordinates and project the solution on the scattering states of the singly charged H 2 + ion [18]. In the second approach, we employ the exterior complex scaling method in the prolate spheroidal coordinates (PSECS) [19].…”

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Single-photon double ionization of H2away from equilibrium: A showcase of two-center electron interference

2012

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We demonstrate the effect of two-center interference on single-photon double ionization [double photoionization (DPI)] of the aligned H 2 molecule when it shrinks or expands from the equilibrium internuclear distance. This interference affects the first stage of the DPI process in which the primary photoelectron is ejected predominantly along the polarization axis of light and its geometrical interference factor is most sensitive to the internuclear distance in the parallel ( ) orientation of the internuclear and polarization axes. This effect is responsible for strong modification of the DPI amplitude in the parallel orientation while the corresponding amplitude for the perpendicular ( ) orientation is rather insensitive to the internuclear distance. The combination of these two factors explains the profound kinetic energy release effect on the fully differential cross sections of DPI of H 2 .The two-center electron interference in photoionization of diatomic molecules was predicted theoretically as early as in the 1960s [1,2]. However, experimental observations of this seemingly simple effect proved to be elusive. It was not until very recently that this effect was detected in the form of oscillations in the corresponding vibrational ratios of the angleintegrated photoionization cross sections of H 2 , N 2 , and CO [3,4]. The earlier measurements of the angle differential cross sections of single-photon two-electron ionization (double photoionization or DPI) on H 2 with circular polarized light [5][6][7] were originally interpreted in terms of the two-center interference. However, these measurements were later explained by mixing of two nondiffractive contributions of circularly polarized light [8]. The two-center interference interpretation of the DPI measurements is only appropriate at substantially higher photon energies that are not yet explored experimentally.In the meantime, experimental observations of DPI of H 2 in the molecular frame showed a clear dependence on the internuclear separation R accessible in the vibrational ground state [1.1-1.7 a.u. at full width at half maximum (FWHM)]. The authors of the pioneering works [9,10] reported a set of fully differential cross sections (FDCS) resolved with respect to the kinematics of the two ejected electrons and the kinetic energy release (KER) available to the two protons after the molecule breaks up. The corresponding internuclear distance is simply R = 1/KER. The original experimental data were later revised [11] and subsequently found in fair agreement with numerical calculations using the exterior complex scaling (ECS) [12] and the time-dependent close-coupling (TDCC) [13] methods performed at the corresponding R values.The KER effect on the FDCS was attributed to pronounced differences in the R dependence of the parallel e R ( ) and perpendicular e ⊥ R ( ) components of the DPI amplitude [12]. Here, e and R are the polarization and internuclear axes, respectively. The contribution of the parallel ( ) component had a minimum in the range of internuclea...

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Time-dependent calculations of double photoionization of the aligned H2molecule

Cited by 22 publications

References 37 publications

Double photoionization of the hydrogen molecule from the viewpoint of the time-delay theory

Double photoionization of the hydrogen molecule from the viewpoint of the time-delay theory

Electron-induced double ionization of isolated water molecules

Single-photon double ionization of H2away from equilibrium: A showcase of two-center electron interference

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