Theoretical analysis of high-order harmonic generation from the modeled molecular nanoring by an intense mid-infrared laser

X Xi Liu (School of Chemistry and Chemical Engineering) D Dongdong Liu Y Yan Sun S Shicheng Zhao (School of Physics and New Energy, Xuzhou University of Technology , Xuzhou 221018,) Y Yujie Li (Engineering Research Center of Advanced Rare Earth Materials (Ministry of Education), Department of Chemistry) C Cui Zhang (State Key Laboratory and Institute of Elemento-Organic Chemistry, Frontiers Science Center for New Organic Matter, Haihe Laboratory of Sustainable Chemical Transformations, College of Chemistry, Nankai University, 94 Weijin Road, Tianjin 300071, China)

Abstract

High-harmonic generation (HHG) from an idealized theoretical model of the molecular nanoring is numerically investigated by using an intense mid-infrared laser pulse. The resultant nonperturbative HHG exhibits some distinctly different radiation characteristics compared to the traditional gas HHG. Specifically, the harmonic cutoff for a molecular nanoring extends slightly beyond the cutoff law of the gas HHG due to its large spatial scale. The observed extension of the harmonic cutoff in the molecular nanoring can be well explained by a generalized semiclassical three-step model. In the simulation, we also find that the ellipticity dependence of the harmonic intensity for the molecular nanoring is distinguishably weaker than that for the atomic target. The harmonic ellipticities from the molecular nanoring can be continuously controlled by the elliptically polarized laser field within a certain ellipticity range, which offers a promising route to produce ellipticity-tunable harmonic emissions. Our results obtained from the numerical idealized model of the molecular nanoring suggest a potential pathway for achieving atomic-like HHG by a laser pulse only with the intensity on the order of 1012 W/cm2, just like the case of the solid HHG. Compared with the gas HHG triggered generally by the laser pulse with the intensity order of 1014 W/cm2, the novel scheme has the advantages of better accessibility and practicability.

Article Details

Volume / Issue Vol. 165, Issue 5
Published August 07, 2026
ISSN 0021-9606
Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (6)

X

Xi Liu

School of Chemistry and Chemical Engineering

D

Dongdong Liu

Y

Yan Sun

S

Shicheng Zhao

School of Physics and New Energy, Xuzhou University of Technology , Xuzhou 221018,

Y

Yujie Li

Engineering Research Center of Advanced Rare Earth Materials (Ministry of Education), Department of Chemistry

C

Cui Zhang

State Key Laboratory and Institute of Elemento-Organic Chemistry, Frontiers Science Center for New Organic Matter, Haihe Laboratory of Sustainable Chemical Transformations, College of Chemistry, Nankai University, 94 Weijin Road, Tianjin 300071, China