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We theoretically demonstrate that ponderomotive interactions near the electron cross-over can be used for aberration correction in ultrafast electron microscopes. Highly magnified electron shadow images from SiN thin films are utilized to visualize the distortions induced by spherical aberrations. Our simulations of electron-light interactions indicate that spherical aberrations can be compensated resulting in an aberration-free angle of 8.
View Article and Find Full Text PDFQUEST#4X: An Extension of QUEST#4 for Benchmarking Multireference Wave Function Methods.
J Chem Theory Comput
January 2025
Qingdao Institute for Theoretical and Computational Sciences and Center for Optics Research and Engineering, Shandong University, Qingdao 266237, China.
Given a number of data sets for evaluating the performance of single reference methods for the low-lying excited states of closed-shell molecules, a comprehensive data set for assessing the performance of multireference methods for the low-lying excited states of open-shell systems is still lacking. For this reason, we propose an extension (QUEST#4X) of the radical subset of QUEST#4 ( , , 3720) to cover 110 doublet and 39 quartet excited states. Near-exact results obtained by iterative configuration interaction with selection and second-order perturbation correction (iCIPT2) are taken as benchmark to calibrate static-dynamic-static configuration interaction (SDSCI) and static-dynamic-static second-order perturbation theory (SDSPT2), which are minimal MRCI and CI-like perturbation theory, respectively.
View Article and Find Full Text PDFRelativistic and electron-correlation effects in static dipole polarizabilities for group 12 elements.
Phys Chem Chem Phys
January 2025
Institute of Applied Analysis and Numerical Simulation, University of Stuttgart, Pfaffenwaldring 57, Stuttgart, 70569, Germany.
In this study, we report a comprehensive calculation of the static dipole polarizabilities of group 12 elements using the finite-field approach combined with the relativistic coupled-cluster method, including single, double, and perturbative triple excitations. Relativistic effects are systematically investigated, including scalar-relativistic, spin-orbit coupling (SOC), and fully relativistic Dirac-Coulomb contributions. The final recommended polarizability values are 37.
View Article and Find Full Text PDFComparative Study of Anti-COVID Mouthwash and Remineralization Agents on Dentinal Tubular Occlusion: An Study.
J Int Soc Prev Community Dent
December 2024
Assistant professor, Oral and Dental Disease Research Center, Department of Operative Dentistry, Faculty of Dentistry, Zahedan University of Medical Sciences, Zahedan, Iran.
Aim: Tooth sensitivity caused by exposed dentin tubules is a common clinical problem requiring correct treatment methods. Owing to the spread of the COVID-19 virus, it has become common to use different mouthwashes, including 1.5% hydrogen peroxide (HP), before dental procedures.
View Article and Find Full Text PDFCharacterizing hole trap production due to proton irradiation in germanium cross-strip detectors.
Exp Astron (Dordr)
January 2025
Space Sciences Laboratory, University of California, Berkeley, 7 Gauss Way, Berkeley, 94720 CA USA.
We present an investigation into the effects of high-energy proton damage on charge trapping in germanium cross-strip detectors with the goal of accomplishing three important measurements. First, we calibrated and characterized the spectral resolution of a spare COSI-balloon detector in order to determine the effects of intrinsic trapping, finding that electron trapping due to impurities dominates over hole trapping in the undamaged detector. Second, we performed two rounds of proton irradiation of the detector in order to quantify, for the first time, the rate at which charge traps are produced by proton irradiation.
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