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The development of reliable ab initio methods for light-matter strong coupling is necessary for a deeper understanding of molecular polaritons. The recently developed strong coupling quantum electrodynamics Hartree-Fock model (SC-QED-HF)…

Chemical Physics · Physics 2025-02-21 Matteo Castagnola , Rosario R. Riso , Yassir El Moutaoukal , Enrico Ronca , Henrik Koch

An accurate analytic model describing high-harmonic generation (HHG) in solids is derived. Extensive first-principles simulations within a time-dependent density-functional framework corroborate the conclusions of the model. Our results…

High-harmonic generation (HHG) is a nonlinear process in which a material sample is irradiated by intense laser pulses, causing the emission of high harmonics of the incident light. HHG has historically been explained by theories employing…

High-harmonic generation (HHG) is a coherent optical process in which the incident photon energy is up-converted to the multiples of its initial energy. In solids, under the influence of a strong laser field, electron-hole (e-h) pairs are…

High harmonic generation (HHG) provides a flexible framework for the development of coherent light sources in the extreme-ultraviolet and soft x-ray regimes. However it suffers from low conversion efficiencies as the control of the HHG…

Optics · Physics 2014-09-16 Alberto Castro , Angel Rubio , E. K. U. Gross

By employing the exact diagonalization method, we investigate the high-harmonic generation (HHG) of the correlated systems under the strong laser irradiation. For the extended Hubbard model on a periodic chain, HHG close to the quantum…

Strongly Correlated Electrons · Physics 2022-03-07 Can Shao , Hantao Lu , Xiao Zhang , Chao Yu , Takami Tohyama , Ruifeng Lu

In this paper, we investigate the effects of full electronic correlation on the high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity. To do this, we perform real-time propagations of the helium…

Chemical Physics · Physics 2022-05-18 Aleksander P. Woźniak , Michał Przybytek , Maciej Lewenstein , Robert Moszyński

We develop a numerical scheme to investigate the high-order harmonic generation (HHG) in intense laser-matter interactions. Tracing the time evolution of every electronic laser-field-free state, we "observe" the HHG in a time-integrated…

Atomic Physics · Physics 2008-11-14 Y. J. Chen , J. Liu , Bambi Hu

In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…

Chemical Physics · Physics 2026-03-20 Braden M. Weight , Zheng Pei , Sergei Tretiak

In this work, we present the analytical derivation and implementation of the quantum electrodynamics Hartree-Fock Hessian. We investigate how electronic strong coupling influences molecular vibrational properties, applying this framework to…

Chemical Physics · Physics 2025-04-30 Alberto Barlini , Andrea Bianchi , Jan Haakon Melka-Trabski , Julien Bloino , Henrik Koch

High-harmonic generation (HHG), which is generation of multiple optical harmonic light, is an unconventional nonlinear optical phenomenon beyond perturbation regime. HHG, which was initially observed in gaseous media, has recently been…

Acting as a highly nonlinear response to the strong laser field, high harmonic generation (HHG) naturally contains the fingerprints of atomic and electronic properties of materials. Electronic properties of a solid such as band structure…

Materials Science · Physics 2023-04-20 Shi-Qi Hu , Hui Zhao , Xin-Bao Liu , Da-Qiang Chen , Sheng Meng

Employing non-Hermitian Floquet theory, the strong-field process of high harmonic (HH) generation by a classical continuous-wave field irradiating ground-state atom is discovered to be controllable by placing the irradiated atom inside a…

Quantum Physics · Physics 2025-09-05 Zohar Amitay , Nimrod Moiseyev

Polaritons have gained significant attention for the tantalizing possibility of modifying chemical properties and dynamics by coupling molecules to resonant cavity modes to create hybrid light-matter quantum states. Herein, we implement the…

Chemical Physics · Physics 2025-06-24 Scott M. Garner , Xiaosong Li , Sharon Hammes-Schiffer

We study the effect of electron-electron correlations on the quantum state of the light emitted from high-harmonic generation (HHG). The quantum state of the emitted light is obtained by using a fully quantum mechanical description of both…

Quantum Physics · Physics 2024-03-19 Christian Saugbjerg Lange , Thomas Hansen , Lars Bojer Madsen

High-harmonic generation (HHG) in the two topological phases of a finite, one-dimensional, periodic structure is investigated using a self-consistent time-dependent density functional theory (TDDFT) approach. For harmonic photon energies…

Optics · Physics 2018-04-26 Dieter Bauer , Kenneth K. Hansen

We investigate the effect of dynamic electron correlation on high-harmonic generation in helium atoms using intense visible light (\lambda=390nm). Two complementary approaches are used which account for correlation in an approximate manner:…

Quantum Physics · Physics 2009-05-21 G. A. McKenna , R. Nepstad , J. F. McCann , D. Dundas

High-harmonic generation (HHG) in crystalline solids have been examined so far on the basis of one-body energy-band structures arising from electron itineracy in a periodic potential. Here, we show emergence of HHG signals which are…

Strongly Correlated Electrons · Physics 2020-04-22 Shohei Imai , Atsushi Ono , Sumio Ishihara

High harmonic generation (HHG) is an extreme nonlinear process where intense pulses of light drive matter to emit high harmonics of the driving frequency, reaching the extreme ultraviolet (XUV) and x-ray spectral ranges. So far, the HHG…

We present a comprehensive theoretical investigation of high-order harmonic generation in H$_2^+$ molecular ions within a quantum optical framework. Our study focuses on characterizing various quantum optical and quantum information…

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