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Frontier orbitals, i.e., the highest occupied and lowest unoccupied orbitals of a molecule, generally determine molecular properties, such as chemical bonding and reactivities. Consequently, there has been a lot of interest in measuring…

The ability to directly follow and time resolve the rearrangement of the nuclei within molecules is a frontier of science that requires atomic spatial and few-femtosecond temporal resolutions. While laser induced electron diffraction can…

Conventional photoemission orbital tomography based on Fourier iterative method enables us to extract a projected two-dimensional (2D) molecular orbital from a 2D photoelectron momentum map (PMM) of planar $\pi$-conjugated molecules in a…

材料科学 · 物理学 2024-03-01 Misa Nozaki , Takehisa Konishi

Photoemission orbital tomography (POT) from photoelectron momentum maps (PMMs) has enabled detailed analysis of the shape and energy of molecular orbitals in the adsorbed state. This study proposes a new POT method based on the PhaseLift.…

材料科学 · 物理学 2025-06-03 Kaori Niki , Rena Asano , Ryuji Sakanoue , Manabu Hagiwara , Kazushi Mimura

The momentum-dependent orbital character in crystalline solids, referred to as orbital texture, is of capital importance in the emergence of symmetry-broken collective phases such as charge density waves as well as superconducting and…

The simulation of intrinsic contributions to molecular properties holds the potential to allow for chemistry to be directly inferred from changes to electronic structures at the atomic level. In the present study, we demonstrate how such…

化学物理 · 物理学 2023-08-16 Frederik Ø. Kjeldal , Janus J. Eriksen

Confocal microscopy of fluorescent labeled particles has been used to study the dynamical and structural properties of colloidal and granular matter in real space. Localization algorithms allow for a fully automatized determination of the…

软凝聚态物质 · 物理学 2011-12-08 Marcel Roth , Michael Franzmann , Maria D'Acunzi , Max Kreiter , Günter K. Auernhammer

Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is…

Valence molecular orbitals play a crucial role in chemical reactions. Here we reveal that an intense laser field deforms an inner valence orbital (10a') in the ethanol molecule. We measure the recoil-frame photoelectron angular distribution…

化学物理 · 物理学 2018-11-20 Hiroshi Akagi , Tomohito Otobe , Ryuji Itakura

Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…

原子物理 · 物理学 2016-09-28 Zachary B. Walters , Stefano Tonzani , Chris H. Greene

Imaging structures at the molecular level is a fast developing interdisciplinary research field that spans across the boundaries of physics and chemistry. High spatial resolution images of molecules can be obtained with photons or ultrafast…

原子物理 · 物理学 2016-09-01 R. Puthumpally-Joseph , J. Viau-Trudel , M. Peters , T. T. Nguyen-Dang , O. Atabek , E. Charron

The interaction between a quantum particle's spin angular momentum and its orbital angular momentum is ubiquitous in nature. In optics, the spin-orbit optical phenomenon is closely related with the light-matter interaction and has been of…

Single-particle removal reactions are becoming an important tool for studying radioactive nuclei. The nuclei far from stability may reveal new regions of large deformation. We discuss the influence of the projectile deformation on the…

核理论 · 物理学 2009-10-31 Alexander Sakharuk , P. Gregers Hansen , Vladimir Zelevinsky

The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches…

化学物理 · 物理学 2013-07-16 Katharina Boguslawski , Pawel Tecmer , Gergely Barcza , Ors Legeza , Markus Reiher

The use of plane wave approximation in molecular orbital tomography via high-order harmonic generation has been questioned since it was proposed, owing to the fact that it ignores the essential property of the continuum wave function. To…

原子物理 · 物理学 2015-06-18 Yang Li , Xiaosong Zhu , Pengfei Lan , Qingbin Zhang , Meiyan Qin , Peixiang Lu

The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…

化学物理 · 物理学 2022-02-14 Janus J. Eriksen

Ring-core optical fibers have been designed to carry orbital angular momentum modes. We demonstrate the imaging of these modes, individually identifying modes separated temporally by only 30~ps. A single-pixel camera operating in the…

光学 · 物理学 2019-08-23 Steven D. Johnson , Zelin Ma , Miles Padgett , Siddharth Ramachandran

With angle resolved photoemission experiments and \emph{ab-initio} electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted allowing the molecular orientation and an unambiguous…

Orbital angular momentum (OAM) of photons is carried upon the wave front of an optical vortex and is important in physics research due to its fundamental degree of freedom. As for the interaction with materials, the optical OAM was shown to…

应用物理 · 物理学 2018-09-17 Yoshiki Kohmura , Kei Sawada , Masaichiro Mizumaki , Kenji Ohwada , Tetsuya Ishikawa

Photoemission orbital tomography (POT) is a powerful tool for investigating the orbitals and electronic band structure of oriented layers of organic molecules. In many cases, POT allows conclusions to be drawn regarding the geometric…

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