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A hybrid meta on-top functional for multiconfiguration pair-density functional theory.
Proc Natl Acad Sci U S A
January 2025
Department of Chemistry, Chemical Theory Center, University of Minnesota, Minneapolis, MN 55455-0431.
Multiconfiguration pair-density functional theory (MC-PDFT) was proposed a decade ago, but it is still in the early stage of density functional development. MC-PDFT uses functionals that are called on-top functionals; they depend on the density and the on-top pair density. Most MC-PDFT calculations to date have been unoptimized translations of generalized gradient approximations (GGAs) of Kohn-Sham density functional theory (KS-DFT).
View Article and Find Full Text PDFPseudogap in electron-doped cuprates: Strong correlation leading to band splitting.
Proc Natl Acad Sci U S A
January 2025
Department of Physics, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033, Japan.
The pseudogap phenomena have been a long-standing mystery of the cuprate high-temperature superconductors. The pseudogap in the electron-doped cuprates has been attributed to band folding due to antiferromagnetic (AFM) long-range order or short-range correlation. We performed an angle-resolved photoemission spectroscopy study of the electron-doped cuprates PrLaCeCuO showing spin-glass, disordered AFM behaviors, and superconductivity at low temperatures and, by measurements with fine momentum cuts, found that the gap opens on the unfolded Fermi surface rather than the AFM Brillouin zone boundary.
View Article and Find Full Text PDFPredicting depressive symptoms and psychological distress by circulating inflammatory mediators: A 16-month prospective study in Japanese white-collar employees.
J Occup Environ Med
January 2025
Department of Social Medical Sciences, Graduate School of Medicine, International University of Health and Welfare, Tokyo, Japan.
Objective: Although increasing evidence suggests that depression/distress involves inflammatory processes, its potential sex differences and the temporal directions for this association remain elusive.
Methods: We examined the temporal association between serum inflammatory mediators and depression/distress as measured by the Center for Epidemiologic Studies Depression Scale (CES-D) and the Kessler Psychological Distress Scale (K6), in non-depressed working men and women (n = 61 and 43, respectively) by a 16-month prospective design.
Results: Fully-adjusted partial correlation analyses revealed that in men, a lower IFN-γ predicted subsequent increases in CES-D and K6 scores, while a higher TNF-α predicted increased K6 scores.
The Association Between Postoperative Prophylactic Antibiotics and Severe Infections After Cochlear Implantation: A Retrospective Cohort Study.
Otol Neurotol
February 2025
Department of ORL-Head & Neck Surgery and Audiology, Odense University Hospital, Odense C, Denmark.
Objective: To investigate the association between postoperative antibiotic prophylaxis and the risk of infections leading to implant explantation or hospitalization, with a follow-up of up to 12 years.
Study Design: Retrospective cohort study.
Setting: Tertiary medical institution.
metaGE: Investigating genotype x environment interactions through GWAS meta-analysis.
PLoS Genet
January 2025
Génétique Quantitative et Evolution - Le Moulon, INRAE, CNRS, AgroParisTech, Université Paris-Saclay, Gif-sur-Yvette, France.
Elucidating the genetic components of plant genotype-by-environment interactions is of key importance in the context of increasing climatic instability, diversification of agricultural practices and pest pressure due to phytosanitary treatment limitations. The genotypic response to environmental stresses can be investigated through multi-environment trials (METs). However, genome-wide association studies (GWAS) of MET data are significantly more complex than that of single environments.
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