The Breit interaction is implemented in the no-pair variational Dirac-Coulomb (DC) framework using an explicitly correlated Gaussian basis reported in the previous paper [P. Jeszenszki, D. Ferenc, and E. Mátyus, J. Chem. Phys. 156, 084111 (2022)]. Both a perturbative and a fully variational inclusion of the Breit term are considered. The no-pair DC plus perturbative Breit and the no-pair DC-Breit energies are compared with perturbation theory results including the Breit-Pauli Hamiltonian and leading-order non-radiative quantum electrodynamics corrections for low Z values. Possible reasons for the observed deviations are discussed.
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http://dx.doi.org/10.1063/5.0075097 | DOI Listing |
World J Urol
January 2025
Research & Analysis Services, University Hospital Basel, Steinengraben 36, Basel, 4051, Switzerland.
Background: Multidisciplinary teams (MDTs) are essential for cancer care but are resource-intensive. Decision-making processes within MDTs, while critical, contribute to increased healthcare costs due to the need for specialist time and coordination. The recent emergence of large language models (LLMs) offers the potential to improve the efficiency and accuracy of clinical decision-making processes, potentially reducing costs associated with traditional MDT models.
View Article and Find Full Text PDFLang Speech Hear Serv Sch
January 2025
College of Education, Florida State University, Tallahassee.
Purpose: The primary aim of the study was to examine the association between early childhood practitioners' use of language facilitation strategies during interactive book reading of informational texts related to science and the language skills of preschool children with developmental language disorder (DLD).
Method: Twenty-four practitioners (12 early childhood special education teachers and 12 speech-language pathologists) and 33 preschoolers with DLD participated. Practitioners received training and implemented an informational book-reading intervention for 19 weeks.
J Intell
October 2024
Department of Psychology, Trier University, D-54286 Trier, Germany.
Investment theory and related theoretical approaches suggest a dynamic interplay between crystallized intelligence, fluid intelligence, and investment traits like need for cognition. Although cross-sectional studies have found positive correlations between these constructs, longitudinal research testing all of their relations over time is scarce. In our pre-registered longitudinal study, we examined whether initial levels of crystallized intelligence, fluid intelligence, and need for cognition predicted changes in each other.
View Article and Find Full Text PDFJ Chem Phys
October 2024
Department of Physics, Zhejiang Sci-Tech University, Hangzhou 310018, China.
The electric dipole polarizabilities and the tune-out wavelengths for the n3S1 (n = 2, 3) states of Be2+ are determined through the application of the relativistic full-configuration-interaction approach. Our calculations directly integrate the mass shift operator into the Dirac-Coulomb-Breit Hamiltonian and further assess the quantum electrodynamics (QED) correction to the dynamic dipole polarizabilities using perturbation theory. The results reveal that the static electric dipole polarizability of the 23S1 and 33S1 states, as well as the 93 nm tune-out wavelength of the 23S1 state and the 238 nm tune-out wavelength of the 33S1 state, exhibits a high sensitivity to QED correction, which exceeds 80 ppm, providing a sensitive test for atomic structure theory.
View Article and Find Full Text PDFJ Chem Theory Comput
September 2024
Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
We present several schemes based on the spin-separation of the Dirac-Coulomb-Breit Hamiltonian for the perturbative treatment of relativistic four-component Hamiltonians within the state interaction framework. While state interaction approaches traditionally use zeroth-order scalar-relativistic states, we develop augmented zeroth-order Hamiltonians with increasing accuracy and investigate convergence to the variational limit as a function of the choice of zeroth-order Hamiltonian. The state interaction schemes developed in this work are benchmarked using ground-state fine-structure splitting of late-row atoms and diatomic hyrides.
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