Retrieval of interatomic separations of complex molecules by ultra-short laser pulses

Nguyen, Ngoc-Ty; Le, Van-Hoang

doi:10.1016/j.comptc.2010.11.024

Cited by 4 publications

(2 citation statements)

References 18 publications

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“…The use of approximations (and in particular the SFA) in the tomography of molecular orbitals is, however, under permanent debate and full for controversial issues: the results strongly depend on the gauge, the choice of the dipole radiation form, the molecular orbital symmetry and degree of alignment and the reconstruction axis (cf. [22][23][24][25][26][27][28][29][30]). LIED [5,31,32] is based on extracting structural information directly from electrons which are elastically scattered of the parent ion.…”

Section: Introductionmentioning

confidence: 99%

Above-threshold ionization and laser-induced electron diffraction in diatomic molecules

et al. 2016

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Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an ab-initio treatment of even the simplest diatomic systems is beyond today's capabilities approximate qualitative descriptions are warranted. In this paper, we develop such a theoretical approach to model the photoelectrons resulting from intense laser-molecule interaction. We present a general theory for symmetric diatomic molecules in the single active electron approximation that, amongst other capabilities, allows adjusting both the internuclear separation and molecular potential in a direct and simple way. More importantly we derive an analytic approximate solution of the time dependent Schrödinger equation (TDSE), based on a generalized strong field approximation (SFA) version. Using that approach we obtain expressions for electrons emitted transition amplitudes from two different molecular centres, and accelerated then in the strong laser field. In addition, our approach directly underpins different underlying physical processes that correspond to i) direct tunnelling ionization; ii) electron rescattering on the centre of origin; iii) and, finally, electron rescattering on a different centre. One innovative aspect of our theory is the fact that the dipole matrix elements are free from non-physical gauge and coordinate system dependent terms -this is achieved by adapting the coordinate system, in which SFA is performed, to the centre from which the corresponding part of the time dependent wave function originates. Our analytic results agree very well with the numerical solution of the full three-dimensional TDSE for the H + 2 molecule.Moreover, the theoretical model was applied to describe laser-induced electron diffraction (LIED) measurements of O + 2 molecules, obtained at ICFO, and reproduces the main features of the experiment very well. Our approach can be extended in a natural way to more complex molecules and multi-electron systems.

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Section: Introductionmentioning

confidence: 99%

Above-threshold ionization and laser-induced electron diffraction in diatomic molecules

et al. 2016

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“…After obtaining both the dipole and the continuum-continuum transition matrix elements it is then possible to compute the Eqs. (8) and (17) to obtain the direct, the rescattering and the total photoelectron transition amplitudes. We stress out that our model only involves, in the worst case scenario, the numerical calculation of a 2D integral, being the rest of the expressions written in terms of fully analytical functions.…”

Section: Csmentioning

confidence: 99%

Above-threshold ionization in multicenter molecules: The role of the initial state

et al. 2018

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A possible route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal and nanometer spatial resolution is to employ recolliding electrons as 'probes'. The recollision process in molecules is, however, very challenging to treat using ab initio approaches.Even for the simplest diatomic systems, such as H 2 , today's computational capabilities are not enough to give a complete description of the electron and nuclear dynamics initiated by a strong laser field. As a consequence, approximate qualitative descriptions are called to play an important role. In this contribution we extend the work presented in N. Suárez et al., Phys. Rev. A 95, 033415 (2017), to three-center molecular targets. Additionally, we incorporate a more accurate description of the molecular ground state, employing information extracted from quantum chemistry software packages. This step forward allows us to include, in a detailed way, both the molecular symmetries and nodes present in the high-occupied molecular orbital. We are able to, on the one hand, keep our formulation as analytical as in the case of diatomics, and, on the other hand, to still give a complete description of the underlying physics behind the above-threshold ionization process. The application of our approach to complex multicenter -with more than 3 centers, targets appears to be straightforward.

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Possibility of tracking imino–amino tautomerism of cytosine by ultra-short laser pulses using high-order harmonic generation

Nguyen

Hoang²,

Hoang-Do³

et al. 2012

Computational and Theoretical Chemistry

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Retrieval of interatomic separations of complex molecules by ultra-short laser pulses

Cited by 4 publications

References 18 publications

Above-threshold ionization and laser-induced electron diffraction in diatomic molecules

Above-threshold ionization and laser-induced electron diffraction in diatomic molecules

Above-threshold ionization in multicenter molecules: The role of the initial state

Possibility of tracking imino–amino tautomerism of cytosine by ultra-short laser pulses using high-order harmonic generation

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