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Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory.
J Phys Chem Lett
December 2024
Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, U.K.
In the dynamics of atoms and molecules at metal surfaces, electron-hole pair excitations can play a crucial role. In the case of hyperthermal hydrogen atom scattering, they lead to nonadiabatic energy loss and highly inelastic scattering. Molecular dynamics with electronic friction simulation results, based on an isotropic homogeneous electron gas approximation, have previously aligned well with measured kinetic energy loss distributions, indicating that this level of theoretical description is sufficient to describe nonadiabatic effects during scattering.
View Article and Find Full Text PDFVariance-based wave function optimization within the unrestricted doubly occupied configuration interaction framework: A half-projection treatment.
J Chem Phys
December 2024
Departamento de Ciencias Exactas, Ciclo Básico Común, Universidad de Buenos Aires, Ciudad Universitaria, 1428 Buenos Aires, Argentina.
The energy-variance-based optimization procedures have proven to be useful tools to describe N-electron spectra. However, the resulting wave functions usually present spin-contaminant contributions. The goal of this work is to reduce the spin contamination of the results arising from the unrestricted doubly occupied configuration interaction method in its energy variance minimization version [Alcoba et al.
View Article and Find Full Text PDFThe Cultural Consonance Space: Multiplicities and Enactments of Male Body Ideals in South Korea.
Cult Med Psychiatry
December 2024
Department of Psychiatry, Washington University School of Medicine, St. Louis, MO, 63110, USA.
Cultural consonance, defined as the extent to which one is able to approximate a given cultural model in one's own life, is a highly adaptive theory and method which anthropologists have used for decades to demonstrate direct connections between individuals' variation in relation to meaning systems and their health outcomes. However, it has been limited by use of a "cultural consonance score" which treats cultural consonance unidimensionally. Because people enact cultural models in multiple ways, cultural consonance may be better operationalized multidimensionally.
View Article and Find Full Text PDFVariation of leaf shape with tree size: a case study using Decne.
Front Plant Sci
November 2024
Bamboo Research Institute, Nanjing Forestry University, Nanjing, China.
Article Synopsis
- The Montgomery equation (ME) links leaf area to leaf length and width, with its proportionality influenced by leaf shape, represented by the Montgomery parameter (MP).
- A study sampled 840 leaves from six trees to analyze various leaf shape indices, discovering that larger trees have more ovate leaves while DBH did not significantly impact other indices like width to length ratio.
- Results indicate that the MP (0.6466) remains consistent regardless of tree size, validating the ME for calculating leaf area at both the individual tree level and across multiple trees with minimal error when compared to a power-law equation.
Second-order nonlinear mixing processes involving a leaky guided acoustic wave.
Ultrasonics
March 2025
Hochschule Offenburg - University of Applied Sciences, Klosterstr. 14, 77723 Gengenbach, Germany.
Quasi-phasematched mixing processes of acoustic waves via second-order nonlinearity are analyzed with two perfectly guided waves generating a leaky wave. The efficiency of such processes is quantified by an acoustic nonlinearity parameter (ANP), defined as the linear growth rate of the leaky wave's amplitude in the initial stage of its spatial evolution. Two approximate ways of estimating the ANP of such processes are suggested.
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