Probing the 
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 transitions in conjugated compounds with an infrared femtosecond laser

Liu, Xi; Li, Peng-Cheng; Zhu, Xinxin; Lan, Pengfei; Zhang, Qingbin; Lu, Peixiang

doi:10.1103/physreva.95.033421

Cited by 20 publications

(3 citation statements)

References 86 publications

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“…analogously to equation ( 3) for the time-dependent nonaveraged dipole. The application of an ab initio full-electron approach to the strong-field dynamics of uracil reported in reference [123] goes in the direction to compute HHG spectra of molecules of biological interest [224,225]. Figure 4 collects the HHG spectrum of uracil computed in several ways, with pulse wavelength and intensity of 780 nm and 10 14 W cm −2 : using a 3D and a planar rotational average, a single polarisation perpendicular to the molecular axis, and along the direction of the ground-state dipole.…”

Section: Atoms and Moleculesmentioning

confidence: 99%

Time-dependent ab initio approaches for high-harmonic generation spectroscopy

Coccia

Luppi

2021

J. Phys.: Condens. Matter

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High-harmonic generation (HHG) is a nonlinear physical process used for the production of ultrashort pulses in XUV region, which are then used for investigating ultrafast phenomena in time-resolved spectroscopies. Moreover, HHG signal itself encodes information on electronic structure and dynamics of the target, possibly coupled to the nuclear degrees of freedom. Investigating HHG signal leads to HHG spectroscopy, which is applied to atoms, molecules, solids and recently also to liquids. Analysing the number of generated harmonics, their intensity and shape gives a detailed insight of, e.g., ionisation and recombination channels occurring in the strong-field dynamics. A number of valuable theoretical models has been developed over the years to explain and interpret HHG features, with the three-step model being the most known one. Originally, these models neglect the complexity of the propagating electronic wavefunction, by only using an approximated formulation of ground and continuum states. Many effects unravelled by HHG spectroscopy are instead due to electron correlation effects, quantum interference, and Rydberg-state contributions, which are all properly captured by an ab initio electronic-structure approach. In this review we have collected recent advances in modelling HHG by means of ab initio time-dependent approaches relying on the propagation of the time-dependent Schrödinger equation (or derived equations) in presence of a very intense electromagnetic field. We limit ourselves to gas-phase atomic and molecular targets, and to solids. We focus on the various levels of theory employed for describing the electronic structure of the target, coupled with strong-field dynamics and ionisation approaches, and on the basis used to represent electronic states. Selected applications and perspectives for future developments are also given.

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Section: Atoms and Moleculesmentioning

confidence: 99%

Time-dependent ab initio approaches for high-harmonic generation spectroscopy

Coccia

Luppi

2021

J. Phys.: Condens. Matter

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“…Recently, based on the HHG, the attosecond laser pulse has been available [12][13][14][15][16], which has drawn considerable attention for its possibility for imaging and detection of the electronic structures and ultrafast dynamics in atoms, molecules, or condensed matter with a combination of Å-scale spatial resolution and attosecond temporal resolution [17][18][19][20]. For example, the attosecond pulses have been used to resolve the time when an electron exits a tunneling barrier [21], observe the valence electron motion in real time [22], and control the simple chemical reaction in a molecule [23].…”

Section: Introductionmentioning

confidence: 99%

Ultrafast oscillating-magnetic-field generation based on electronic-current dynamics

et al. 2019

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Electronic-current dynamics play an important role in photoinduced processes and magnetooptics. We theoretically demonstrate ultrafast oscillating-magnetic-field generation based on the electronic dynamics from current carrying states irradiated by a nonhelical, linearly polarized laser field. In this driving field, the electronic currents oscillate periodically, which is attributed to the laser-induced energy shift of orbitals. These electronic currents can induce a strong spatial-localized oscillating magnetic field B(r, t) of several tens of Teslas (10 4 G) at the center of targets. The frequency of the induced magnetic field ranges from terahertz to petahertz and can be continuously adjusted by varying the driving laser intensity. The optically induced oscillating magnetic fields we demonstrated will serve as a potential tool for investigations of the ultrafast dynamics in magnetic materials and chiral media.

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“…HHG, resulting from the nonlinear interaction of intense laser pulses with a gas medium, has been proved to be a valuable tool for attosecond science [11]. It has been applied to the production of attosecond pulses [12][13][14], the observation and control of ultrafast dynamics [15][16][17][18][19][20], and the imaging of molecular orbitals [21][22][23].…”

Section: Introductionmentioning

confidence: 99%

High harmonic generation from axial chiral molecules

Wang¹,

Zhu²,

Liu³

et al. 2017

Opt. Express

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Axial chiral molecules, whose stereogenic element is an axis rather than a chiral center, have attracted widespread interest due to their important application, such as asymmetric synthesis and chirality transfer. We investigate high harmonic generation from axial chiral molecules with bichromatic counterrotating circularly polarized laser fields. High harmonic generation from three typical molecules: (Sa)-3-chloropropa-1,2-dien-1-ol, propadiene, and (Ra)-2,3-pentadiene is simulated with time-dependent density-functional theory and strong field approximation. We found that harmonic spectra for 3D oriented axial chiral molecules exhibit obvious circular dichroism. However, the circular dichroism of High harmonic generation from an achiral molecule is much trivial. Moreover, the dichroism of high harmonic generation still exists when axial chiral molecules are 1D oriented,such as (Sa) -3-chloropropa-1,2-dien-1-ol. For a special form of axial chiral molecules with the formula abC=C=Cab (a, b are different substituents), like (Ra)-2,3-pentadiene, the dichroism discriminations disappear when the molecules are only in 1D orientation. The circular dichroism of high harmonic generation from axial chiral molecules is well explained by the trajectory analysis based on the semiclassical three-step mechanism.

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Probing the π−π* transitions in conjugated compounds with an infrared femtosecond laser

Cited by 20 publications

References 86 publications

Time-dependent ab initio approaches for high-harmonic generation spectroscopy

Time-dependent ab initio approaches for high-harmonic generation spectroscopy

Ultrafast oscillating-magnetic-field generation based on electronic-current dynamics

High harmonic generation from axial chiral molecules

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