Single-active-electron approximation for describing molecules in ultrashort laser pulses and its application to molecular hydrogen

Awasthi, Manohar; Vanne, Yulian V.; Sáenz, Alejandro; Castro, Alberto; Decleva, Piero

doi:10.1103/physreva.77.063403

Cited by 106 publications

(117 citation statements)

References 54 publications

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“…5 we compare the present ionization probabilities of the H 2 molecule for wavelengths of 800, 400, and 266 nm, calculated from the MO-PPT and the MO-ADK models, with those of SAE-TDSE using the Hartree-Fock functionals [62]. We can see that ionization probabilities obtained from the MO-PPT model agree very well with those of the SAE-TDSE results in the whole range covering from the multiphoton to tunneling ionization regions, while the MO-ADK model works well only in the tunneling ionization region.…”

Section: A Calibration Of Ppt and Mo-ppt Models Against Tdse Resultsmentioning

confidence: 99%

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Analytical model for calibrating laser intensity in strong-field-ionization experiments

Zhao

Jin

et al. 2016

Phys. Rev. A

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The interaction of an intense laser pulse with atoms and molecules depends extremely nonlinearly on the laser intensity. Yet experimentally there still exists no simple reliable methods for determining the peak laser intensity within the focused volume. Here we present a simple method, based on an improved Perelomov-Popov-Terent'ev model, that would allow the calibration of laser intensities from the measured ionization signals of atoms or molecules. The model is first examined by comparing ionization probabilities (or signals) of atoms and several simple diatomic molecules with those from solving the time-dependent Schrödinger equation. We then show the possibility of using this method to calibrate laser intensities for atoms, diatomic molecules as well as large polyatomic molecules, for laser intensities from the multiphoton ionization to tunneling ionization regimes.

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Section: A Calibration Of Ppt and Mo-ppt Models Against Tdse Resultsmentioning

confidence: 99%

“…5. Comparison of ionization probabilities of the H 2 molecule from the SAE-TDSE [62], the MO-PPT, and the MO-ADK methods at central wavelengths of (a) 266, (b) 400, and (c) 800 nm. The laser field is a cosine square pulse with 36, 24, and 12 cycles, for 266, 400, and 800 nm, respectively.…”

Section: B the Ppt Modelmentioning

confidence: 99%

Analytical model for calibrating laser intensity in strong-field-ionization experiments

Zhao

Jin

et al. 2016

Phys. Rev. A

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“…In the SAE, only a single active electron responds to the laser fields while all other electrons remain unaffected [56], and the active electron moves in the Coulomb fields of nuclei and other electrons as well as laser fields. The basic equation for the active electron [56] is very similar to the TDSE given by Eq. (1) apart from additional electron-electron Hartree and exchange-correlation potentials in the Hamiltonian [45,57].…”

Section: E Differential Ionization Probability and Photoelectron Spementioning

confidence: 99%

Precision calculation of above-threshold multiphoton ionization in intense short-wavelength laser fields: The momentum-space approach and time-dependent generalized pseudospectral method

Zhou

Chu

2011

Phys. Rev. A

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We present an approach in momentum (P) space for the accurate study of multiphoton and above-threshold ionization (ATI) dynamics of atomic systems driven by intense laser fields. In this approach, the electron wave function is calculated by solving the P-space time-dependent Schrödinger equation (TDSE) in a finite P-space volume under a simple zero asymptotic boundary condition. The P-space TDSE is propagated accurately and efficiently by means of the time-dependent generalized pseudospectral method with optimal momentum grid discretization and a split-operator time propagator in the energy representation. The differential ionization probabilities are calculated directly from the continuum-state wave function obtained by projecting the total electron wave function onto the continuum-state subspace using the projection operator constructed by the continuum eigenfunctions of the unperturbed Hamiltonian. As a case study, we apply this approach to the nonperturbative study of the multiphoton and ATI dynamics of a hydrogen atom exposed to intense shortwavelength laser fields. High-resolution photoelectron energy-angular distribution and ATI spectra have been obtained. We find that with the increase of the laser intensity, the photoelectron energy-angular distribution changes from circular to dumbbell shaped and is squeezed along the laser field direction. We also explore the change of the maximum photoelectron energy with laser intensity and strong-field atomic stabilization phenomenon in detail.

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“…The two most common theoretical approaches for describing HHG are the semiclassical strong-field approximation (SFA) [20], which has been extended to include Coulombinteraction corrections [25,[33][34][35], and the single-activeelectron (SAE) approximation [36][37][38][39], where the electron-ion interaction for many-electron systems is described by a model potential [37]. The SAE approach is computationally more demanding than the SFA approach, and, therefore, has been limited to atoms and systems like H + 2 .…”

Section: Introductionmentioning

confidence: 99%

Impact of multichannel and multipole effects on the Cooper minimum in the high-order-harmonic spectrum of argon

et al. 2012

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We investigate the relevance of multiple-orbital and multipole effects during high-harmonic generation (HHG). The time-dependent configuration interaction singles (TDCIS) approach is used to study the impact of the detailed description of the residual electron-ion interaction on the HHG spectrum. We find that the shape and position of the Cooper minimum in the HHG spectrum of argon changes significantly whether or not interchannel interactions are taken into account. The HHG yield can be underestimated by up to 2 orders of magnitude in the energy region of 30-50 eV. We show that the argument of low ionization probability is not sufficient to justify ignoring multiple-orbital contributions. Additionally, we find the HHG yield is sensitive to the nonspherical multipole character of the electron-ion interaction.

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Single-active-electron approximation for describing molecules in ultrashort laser pulses and its application to molecular hydrogen

Cited by 106 publications

References 54 publications

Analytical model for calibrating laser intensity in strong-field-ionization experiments

Analytical model for calibrating laser intensity in strong-field-ionization experiments

Precision calculation of above-threshold multiphoton ionization in intense short-wavelength laser fields: The momentum-space approach and time-dependent generalized pseudospectral method

Impact of multichannel and multipole effects on the Cooper minimum in the high-order-harmonic spectrum of argon

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