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http://dx.doi.org/10.1007/s10895-021-02865-3 | DOI Listing |
J Chem Theory Comput
January 2025
Center for Computational Quantum Physics, The Flatiron Institute, 162 Fifth Avenue, New York, New York, 10010, United States.
We present a generalization of the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method to cavity quantum-electrodynamical (QED) matter systems. The method can be formulated in both the Coulomb and the dipole gauge. We verify its accuracy by benchmarking calculations on a set of small molecules against full configuration interaction and state-of-the-art QED coupled cluster (QED-CCSD) calculations.
View Article and Find Full Text PDFCarbon dioxide capture is a vital approach for mitigating air pollution and global warming. In this context, metal-organic frameworks are promising candidates. Particularly, MIL-88A (M), where the metal nodes (M) are connected to fumarate linkers in its structure, has demonstrated significant potential for CO capture.
View Article and Find Full Text PDFRadiat Environ Biophys
January 2025
Laboratory of Health Sciences and Technologies, Higher Institute of Health Sciences, Hassan First University, Settat, Morocco.
This study assesses radiation doses in multi-slice computed tomography (CT) using epoxy resin and PMMA phantoms, focusing on the relationship between TAR (tissue air ratio) and kilovoltage peak (kVp). The research was conducted using a Hitachi Supria 16-slice CT scanner. An epoxy resin phantom was fabricated from commercially available materials, to simulate human tissue.
View Article and Find Full Text PDFJ R Stat Soc Ser A Stat Soc
January 2025
Department of Epidemiology, Gillings School of Global Public Health, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Studies intended to estimate the effect of a treatment, like randomized trials, may not be sampled from the desired target population. To correct for this discrepancy, estimates can be transported to the target population. Methods for transporting between populations are often premised on a positivity assumption, such that all relevant covariate patterns in one population are also present in the other.
View Article and Find Full Text PDFJ Acoust Soc Am
January 2025
Department of Hearing and Speech Sciences, University of Maryland, College Park, Maryland 20742, USA.
Threshold estimation procedures are widely used to measure the stimulus level corresponding to a specified probability of response. The weighted up-and-down procedure, familiar to many due to its use in standard pure-tone audiometry, allows the experimenter to target any probability of response by using different ascending and descending step sizes. Unfortunately, thresholds have a signed mean error that made using weighted staircases inadvisable.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!