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Highly accurate force fields are a mandatory requirement to generate predictive simulations. Here we present the path for the construction of machine learned molecular force fields by discussing the hierarchical pathway from generating the…

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

Chemical Physics · Physics 2019-11-27 Michael Eickenberg , Georgios Exarchakis , Matthew Hirn , Stéphane Mallat , Louis Thiry

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

Based on a quantitative version of the inverse function theorem and an appropriate saddle-point formulation we derive a quasi-optimal error estimate for the finite element approximation of harmonic maps into spheres with a nodal…

Numerical Analysis · Mathematics 2022-09-27 Sören Bartels , Christian Palus , Zhangxian Wang

The demanding experimental access to the ultrafast dynamics of materials challenges our understanding of their electronic response to applied strong laser fields. For this purpose, trapped ultracold atoms with highly controllable potentials…

Attosecond light sources based on high-order harmonic generation (HHG) constitute to date the only table-top solution for producing coherent broadband radiation covering the spectral range from the extreme ultraviolet to the soft X-rays.…

High-order harmonic generation (HHG) in isolated atoms and molecules has been widely utilized in extreme ultraviolet (XUV) photonics and attosecond pulse metrology. Recently, HHG has also been observed in solids, which could lead to…

Based upon our previous works (Eur.Phys.J.D 6, 319(1999); Chin.Phys.Lett. 18, 236(2001)), we develop a classical approach to calculate the high-order harmonic generation of the laser driven atoms and molecules. The Coulomb singularities in…

Atomic Physics · Physics 2007-05-23 Chaohong Lee , Yiwu Duan , Wing-Ki Liu , Jian-Min Yuan , Lei Shi , Xiwen Zhu , Kelin Gao

Isotropic gases irradiated by long pulses of intense IR light can generate very high harmonics of the incident field. It is generally accepted that, due to the symmetry of the generating medium, be it an atomic or an isotropic molecular…

Atomic Physics · Physics 2016-09-28 R. E. F. Silva , P. Rivière , F. Morales , O. Smirnova , M. Ivanov , F. Martín

We investigate high-order harmonic spectra from aligned diatomic molecules in intense driving fields whose components have orthogonal polarizations. We focus on how the driving-field ellipticity influences structural interference patterns…

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

We explore the roles of electronic band structure and Coulomb interactions in solid-state HHG by studying the optical response of linear atomic chains and carbon nanotubes to intense ultrashort pulses. Specifically, we simulate electron…

Mesoscale and Nanoscale Physics · Physics 2020-03-18 Sandra de Vega , Joel D. Cox , Fernando Sols , F. Javier García de Abajo

Anomalously high generation efficiency of coherent higher field-harmonics in collisions between {\em oppositely charged particles} in the field of femtosecond lasers is predicted. This is based on rigorous numerical solutions of a quantum…

Condensed Matter · Physics 2009-10-31 H. Haberland , M. Bonitz , D. Kremp

A new method to compute the incoherent scattering function of harmonic lattices is introduced. It is based in a saddle point approximation for each term of the phonon expansion, and is simple enough to be used in practice. The method gives…

Other Condensed Matter · Physics 2018-07-20 Victor Laliena , Javier Campo

One key parameter in the high-order harmonic generation (HHG) phenomenon is the exact frequency of the generated harmonic field. Its deviation from perfect harmonics of the laser frequency can be explained considering (i) the single-atom…

We develop the strong-field approximation for high-order harmonic generation in hydrogen molecules, including the vibrational motion and the laser-induced coupling of the lowest two Born-Oppenheimer states in the molecular ion that is…

Atomic Physics · Physics 2009-11-13 C. C. Chirila , M. Lein

We study intraband high-harmonic generation (HHG) in a crystal driven by quantum light. Previous theoretical studies have developed a framework based on coherent state expansions in terms of P distributions to consider nonclassical driving…

Quantum Physics · Physics 2026-05-08 Rasmus Vesterager Gothelf , Christian Saugbjerg Lange , Lars Bojer Madsen

For decades, most research on high harmonic generation (HHG) considered matter as quantum but light as classical, leaving the quantum-optical nature of the harmonics an open question. Here we explore the quantum properties of high…

Quantum Physics · Physics 2023-11-21 Matan Even Tzur , Michael Birk , Alexey Gorlach , Ido Kaminer , Michael Krueger , Oren Cohen

We consider harmonics generation and wave-mixing by two-color multi photon resonant excitation of three-level atoms/molecules in strong laser fields. The coherent part of the spectra corresponding to multicolor harmonics generation is…

Atomic Physics · Physics 2016-08-24 H. K. Avetissian , B. R. Avchyan , G. F. Mkrtchian

Mechanisms of high-harmonic generation from crystals are described by treating the electric field of a laser as a quasi-static strong field. Under the quasi-static electric field, electrons in periodic potentials form dressed states, known…

Optics · Physics 2015-06-22 Takuya Higuchi , Mark I. Stockman , Peter Hommelhoff
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