Eisenbud-Wigner-Smith delay and the Larmor time give different estimates for the duration of a quantum scattering event. The difference is most pronounced in the case where the de Broglie wavelength is large compared to the size of the scatterer. We use the methods of quantum measurement theory to analyse both approaches and to decide which one of them, if any, describes the duration a particle spends in the region that contains the scattering potential. The cases of transmission, reflection, and three-dimensional elastic scattering are discussed in some detail.
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http://dx.doi.org/10.3390/e26010075 | DOI Listing |
Nanoscale
January 2025
Key Laboratory of 3D Micro/Nano Fabrication and Characterization of Zhejiang Province, School of Engineering, Westlake University, 18 Shilongshan Road, Hangzhou 310024, Zhejiang Province, China.
Lowering the population inversion threshold is key to leveraging quantum dots (QDs) for nanoscale lasing and laser miniaturization. However, optical realization of population inversion in QDs has an inherent limitation: the number of excited electrons per QD is bound by the absorbed photons. Here we show that one can break this population limit and realize near-zero threshold inversion plasmonic doping.
View Article and Find Full Text PDFChemistry
January 2025
National & Kapodistrian University of Athens, Chemistry, Panepistimiopolis, Zografou, 15771, Athens, GREECE.
The prominence of binuclear catalysts underlines the need for the design and development of diverse bifunctional ligand frameworks that exhibit tunable electronic and structural properties. Such strategies enable metal-metal and ligand-metal cooperation towards catalytic applications, improve catalytic activity, and are essential for advancing multi-electron transfers for catalytic application. Hereby, we present the synthesis, crystal structure, and photocatalytic properties of a binuclear Ni(II) complex, [Ni2(1,10-phenanthroline)2(2-sulfidophenolate)2] (1), which crystallizes in the centrosymmetric triclinic system (P-1) showing extensive intra- and inter- non-coordinated interactions.
View Article and Find Full Text PDFSmall
January 2025
Institute for Quantum Computing and Department of Electrical and Computer Engineering, University of Waterloo, Waterloo, ON, N2L3G1, Canada.
Electronic flat bands can lead to rich many-body quantum phases by quenching the electron's kinetic energy and enhancing many-body correlation. The reduced bandwidth can be realized by either destructive quantum interference in frustrated lattices, or by generating heavy band folding with avoided band crossing in Moiré superlattices. Here a general approach is proposed to introduce flat bands into widely studied transition metal dichalcogenide (TMD) materials by dilute intercalation.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
The energy gaps, spin-orbit coupling (SOC), and admixture coefficients over a series of the configurations are evaluated by the SA-CASSCF/6-31G, SA-CASSCF/6-31G*, SA-CASSCF/ANO-RCC-VDZP, and MS-CASPT2/ANO-RCC-VDZP to reveal the extent of the inaccuracy of the SA-CASSCF. By comparing the mean absolute errors for the energy gaps and the admixture coefficient magnitudes (ACMs) measured between the SA-CASSCF/6-31G, SA-CASSCF/6-31G*, or SA-CASSCF/ANO-RCC-VDZP and the MS-CASPT2/ANO-RCC-VDZP, the SA-CASSCF/6-31G is selected as the electronic structure method in the nonadiabatic molecular dynamics simulation. The major components of the ACMs of the SA-CASSCF/6-31G and MS-CASPT2/ANO-RCC-VDZP are identified and compared; we find that the ACMs are underestimated by the SA-CASSCF/6-31G, which is verified by the reasonable triplet quantum yield simulated by the trajectory surface hopping and the calibrated SA-CASSCF/6-31G.
View Article and Find Full Text PDFSci Rep
January 2025
Center for Cancer Immunotherapy and Immunobiology, Kyoto University Graduate School of Medicine, Kyoto, Japan.
Menstrual pain affects women's quality of life and productivity, yet objective molecular markers for its severity have not been established owing to the variability in blood levels and chemical properties of potential markers such as plasma steroid hormones, lipid mediators, and hydrophilic metabolites. To address this, we conducted a metabolomics study using five analytical methods to identify biomarkers that differentiate menstrual pain severity. This study included 20 women, divided into mild (N = 12) and severe (N = 8) pain groups based on their numerical pain rating scale.
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