中文
相关论文

相关论文: Ab initio Circular Dichroism with the Yambo code: …

200 篇论文

Developing effective methods to measure the enantiomeric excess of the chiral mixture is one of the major topics in chiral molecular researches, yet remains challenging. Enantiodetection method via two-dimensional (2D) spectroscopy based on…

化学物理 · 物理学 2023-05-05 Mao-Rui Cai , Chong Ye , Yong Li , Hui Dong

Optically active achiral metasurfaces offer a promising way to detect chiral molecules based on chiroptic methods. The combination of plasmonic enhanced circular dichroism and reversible optical activity would boost the sensitivity and…

Chiral molecule assignation is crucial for asymmetric catalysis, functional materials, and the drug industry. The conventional approach requires theoretical calculations of electronic circular dichroism (ECD) spectra, which is…

计算工程、金融与科学 · 计算机科学 2024-01-09 Hao Li , Da Long , Li Yuan , Yonghong Tian , Xinchang Wang , Fanyang Mo

As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical activity of chiral molecules. The theory automatically satisfies sum rules and the Kramers-Kronig relation between…

化学物理 · 物理学 2009-10-31 K. Yabana , G. F. Bertsch

In this work, the circular dichroisms (CD) of nanorice heterodimers consisting of two parallel arranged nanorices with the same size but different materials are investigated theoretically. Symmetry-breaking is introduced by using different…

光学 · 物理学 2015-09-14 Li Hu , Yingzhou Huang , Liang Fang , Guo Chen , Hua Wei , Yurui Fang

The accuracy of approximate methods for calculating linear optical spectra depends on many variables. In this study, we fix most of these parameters to typical values found in photosynthetic light-harvesting complexes of plants and…

化学物理 · 物理学 2022-09-21 J. A. Nöthling , Tomáš Mančal , T. P. J. Krüger

We calculate the circular dichroism (CD) for absorption of the twisted photons, or optical vortices, by atoms, caused by atomic excitation into discrete energy levels. The effects of photon spin on the rates and cross sections of atomic…

量子物理 · 物理学 2017-10-02 Andrei Afanasev , Carl E. Carlson , Maria Solyanik

Recent advancements in X-ray light sources at synchrotrons and X-ray free-electron lasers (XFELs) present exciting opportunities to probe molecular chirality using novel nonlinear spectroscopies with element-sensitivity. Circular dichroism…

化学物理 · 物理学 2025-01-27 Yeonsig Nam , Majed Chergui , Linda Young , Jérémy R. Rouxel

Chiroptical effects using circularly polarized light produce signals that change sign when switching either molecular handedness (enantiosensitivity) or the light helicity (circular dichroism). Here, we break this…

The differential response of chiral molecules to incident left- and right- handed circularly polarized light is used for sensing the handedness of molecules. Currently, significant effort is directed towards enhancing weak differential…

Chirped coherent Rayleigh-Brillouin scattering (CRBS) is a flow diagnostic technique that offers high signal-to-noise ratios and nanosecond temporal resolution. To extract information of dilute gas flow, experimental spectra must be…

流体动力学 · 物理学 2025-10-14 Lei Wu

Enantiodetection is an important and challenging task across natural science. Nowadays, some chiroptical methods of enantiodetection based on decoherence-free cyclic three-level models of chiral molecules can reach the ultimate limit of the…

量子物理 · 物理学 2022-11-29 Chong Ye , Xiaowei Mu , Yifan Sun , Libin Fu , Xiangdong Zhang

Chirality, a fundamental concept describing an object cannot superpose with its mirror image, is crucial in optics and photonics and leads to various exotic phenomena, such as circular dichroism, and optical activity. Recent findings reveal…

光学 · 物理学 2025-01-13 Shijie Kang , Haitao Li , Jiayu Fan , Jiusi Yu , Boyang Qu , Peng Chen , Xiaoxiao Wu

We show, by way of tight-binding and first-principles calculations, that a one-to-one correspondence between electron's crystal momentum k and non-zero orbital angular momentum (OAM) is a generic feature of surface bands. The OAM forms a…

材料科学 · 物理学 2013-05-30 Jin-Hong Park , Choong H. Kim , Jun Won Rhim , Jung Hoon Han

This paper concerns optical properties of the isotropic phase above the isotropic-cholesteric transition and of the blue phase BP III. We introduce an effective index, which describes spatial dispersion effects such as optical rotation,…

软凝聚态物质 · 物理学 2009-11-07 D. Lacoste , P. J. Collings , T. C. Lubensky

We present a new technique for detecting chirality in the gas phase: Chiral molecules are spatially aligned in three-dimensions by a moderately strong elliptically-polarized laser field. The momentum distributions of the charged fragments,…

化学物理 · 物理学 2021-02-18 Cem Saribal , Alec Owens , Andrey Yachmenev , Jochen Küpper

Circular dichroism (CD) of photoemission from a surface state on Bi(111) is considered within an {\it ab initio} one-step theory of photoemission. The symmetry of the azimuthal distribution of CD for different spin directions is discussed…

材料科学 · 物理学 2024-08-26 E. E. Krasovskii

Dark-field illumination is shown to make planar chiral nanoparticle arrangements exhibit circular dichroism in extinction analogous to true chiral scatterers. Circular dichrosim is experimentally observed at the maximum scattering of single…

Chiral discrimination with high harmonic generation (cHHG method) has been introduced in the recent work by R. Cireasa et al ( Nat. Phys. 11, 654 - 658, 2015). In its original implementation, the cHHG method works by detecting high harmonic…

光学 · 物理学 2015-10-28 Olga Smirnova , Yann Mairesse , Serguei Patchkovskii

Chirality is of primary importance in many areas of chemistry and has been extensively investigated since its discovery. We introduce here the description of central chirality for tetrahedral molecules using a geometrical approach based on…

化学物理 · 物理学 2008-11-26 S. Capozziello , A. Lattanzi