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Acceleration of Self-Consistent Field Calculations Using Basis Set Projection and Many-Body Expansion as Initial Guess Methods.
J Chem Theory Comput
January 2025
School of Computing and Information Technology, The University of Melbourne, Melbourne, Victoria 3052, Australia.
In Self-Consistent Field (SCF) calculations, the choice of initial guess plays a key role in determining the time-to-solution by influencing the number of iterations required for convergence. However, focusing solely on reducing iterations may overlook the computational cost associated with improving the accuracy of initial guesses. This study critically evaluates the effectiveness of two initial guess methods─basis set projection (BSP) and many-body expansion (MBE) on Hartree-Fock and hybrid Density Functional Theory (B3LYP and MN15) methods.
View Article and Find Full Text PDFCoherent heterodyne lidars are typically used for windspeed and attenuated backscattering measurements. The lack of molecular backscattering detection capability has limited the calibrated backscattering measurements until recent advances in coherent lidar technology. In this work, the simultaneous detection of aerosol and molecular backscattering is demonstrated with coherent heterodyne lidar, and the results are compared with a state-of-the-art Raman lidar PollyXT as a reference in a long-range for the first time.
View Article and Find Full Text PDFNoisy-channel language comprehension in aphasia: A Bayesian mixture modeling approach.
Psychon Bull Rev
January 2025
Boston University, Boston, USA.
Individuals with "agrammatic" receptive aphasia have long been known to rely on semantic plausibility rather than syntactic cues when interpreting sentences. In contrast to early interpretations of this pattern as indicative of a deficit in syntactic knowledge, a recent proposal views agrammatic comprehension as a case of "noisy-channel" language processing with an increased expectation of noise in the input relative to healthy adults. Here, we investigate the nature of the noise model in aphasia and whether it is adapted to the statistics of the environment.
View Article and Find Full Text PDFPerformance of ChatGPT-3.5 and ChatGPT-4 in the Taiwan National Pharmacist Licensing Examination: Comparative Evaluation Study.
JMIR Med Educ
January 2025
Department of Pharmacy, Taipei Veterans General Hospital Hsinchu Branch, Hsinchu, Taiwan.
Background: OpenAI released versions ChatGPT-3.5 and GPT-4 between 2022 and 2023. GPT-3.
View Article and Find Full Text PDFRevisiting the electrophysiological correlates of valence and expectancy in reward processing - A multi-lab replication.
Cortex
January 2025
Department of Experimental Clinical & Health Psychology, Ghent University, Ghent, Belgium.
Two event-related brain potential (ERP) components, the frontocentral feedback-related negativity (FRN) and the posterior P300, are key in feedback processing. The FRN typically exhibits greater amplitude in response to negative and unexpected outcomes, whereas the P300 is generally more pronounced for positive outcomes. In an influential ERP study, Hajcak et al.
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