Strong-field approximation for above-threshold ionization of polyatomic molecules

Hasović, E.; Milošević, D. B.

doi:10.1103/physreva.86.043429

Cited by 14 publications

(7 citation statements)

References 53 publications

(69 reference statements)

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“…We use the linear combination of Slater-type orbitals obtained using the Hartree-Fock-Roothaan method to calculate the ground-state wave function of the atomic or diatomic molecular target, while for polyatomic molecules the atomic orbitals that construct the molecular orbital are represented by linear combinations of primitive Gaussians [89,90]. Finally, the coordinates r k are those of the atomic centers as defined in [26,91,92].…”

Section: Hhg Theorymentioning

confidence: 99%

Symmetries and Selection Rules of the Spectra of Photoelectrons and High-Order Harmonics Generated by Field-Driven Atoms and Molecules

2021

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Using the strong-field approximation we systematically investigate the selection rules for high-order harmonic generation and the symmetry properties of the angle-resolved photoelectron spectra for various atomic and molecular targets exposed to one-component and two-component laser fields. These include bicircular fields and orthogonally polarized two-color fields. The selection rules are derived directly from the dynamical symmetries of the driving field. Alternatively, we demonstrate that they can be obtained using the conservation of the projection of the total angular momentum on the quantization axis. We discuss how the harmonic spectra of atomic targets depend on the type of the ground state or, for molecular targets, on the pertinent molecular orbital. In addition, we briefly discuss some properties of the high-order harmonic spectra generated by a few-cycle laser field. The symmetry properties of the angle-resolved photoelectron momentum distribution are also determined by the dynamical symmetry of the driving field. We consider the first two terms in a Born series expansion of the T matrix, which describe the direct and the rescattered electrons. Dynamical symmetries involving time translation generate rotational symmetries obeyed by both terms. However, those that involve time reversal generate reflection symmetries that are only observed by the direct electrons. Finally, we explain how the symmetry properties, imposed by the dynamical symmetry of the driving field, are altered for molecular targets.

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Section: Hhg Theorymentioning

confidence: 99%

Symmetries and Selection Rules of the Spectra of Photoelectrons and High-Order Harmonics Generated by Field-Driven Atoms and Molecules

2021

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“…While there is still a great interest in the details of strong-field ionization of small systems [6,7], ionization of larger molecules receives increasing attention [8], since the photoelectron angular distributions (PADs) carry important structural information on the molecules. PADs of polyatomic molecules have been calculated successfully within the framework of the SFA [9][10][11], and can nowadays be efficiently measured using velocity-map imaging [12,13]. For example, velocity-map imaging has been used to track molecular rotation on a subpicosecond time scale [14].…”

Section: Introductionmentioning

confidence: 99%

Photoelectron circular dichroism of chiral molecules studied with a continuum-state-corrected strong-field approximation

Dreissigacker

Lein

2014

Phys. Rev. A

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(2013)], we investigate the origin of this effect theoretically. We show that it is not possible to describe photoelectron circular dichroism with the commonly used strong-field approximation due to its plane-wave nature. We therefore apply the Born approximation to the scattering state and use this as a continuum-state correction in the strong-field approximation. We obtain electron distributions for the molecules camphor and fenchone. In order to gain physical insight into the process, we study the contributions of individual molecular orientations.

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“…We assume that ionization happens from the highest occupied molecular orbital (HOMO), which can be calculated using the GAMESS quantum chemistry package [80]. More details about the HOMOs of the CO 2 and O 3 molecules can be found in [13,82,83].…”

Section: Numerical Resultsmentioning

confidence: 99%

High-order harmonic generation by planar polyatomic molecules exposed to an orthogonally polarized two-color laser field

Habibović¹,

Becker²,

Milošević³

2021

J. Phys. B: At. Mol. Opt. Phys.

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The molecular strong-field approximation is employed to study high-order harmonic generation by linear and planar polyatomic molecules exposed to an orthogonally polarized two-color laser field, which consists of two orthogonal linearly polarized components with commensurable frequencies. For such a driving field, we find that the harmonic emission rate and the shape of the spectrum strongly depend on the laser-field parameters including the relative phase and the ratio of the intensities of the two components. The values of the relative phase that correspond to the optimal harmonic emission rate, as well as the cutoff position, can be assessed using a classical model. The possible production of an isolated attosecond pulse is investigated. For suitable symmetry of the laser field an attosecond pulse train with only one attosecond pulse per cycle can be generated. Depending on the frequencies of the two field components, the molecular symmetry properties and the orientation of the molecule with respect to the field, the even harmonics can be absent from the spectrum, which can be used to determine the molecular orientation. The emitted harmonics are elliptically polarized and their ellipticity depends on the molecular orientation.

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Strong-field approximation for above-threshold ionization of polyatomic molecules

Cited by 14 publications

References 53 publications

Symmetries and Selection Rules of the Spectra of Photoelectrons and High-Order Harmonics Generated by Field-Driven Atoms and Molecules

Symmetries and Selection Rules of the Spectra of Photoelectrons and High-Order Harmonics Generated by Field-Driven Atoms and Molecules

Photoelectron circular dichroism of chiral molecules studied with a continuum-state-corrected strong-field approximation

High-order harmonic generation by planar polyatomic molecules exposed to an orthogonally polarized two-color laser field

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