Results 61 to 70 of about 900 (183)
New Insights into the Intrinsic Transport Properties of Sb2O5 and ZnSb2O6
physica status solidi (RRL) – Rapid Research Letters, Volume 19, Issue 11, November 2025.Herein, Sb2O5 and ZnSb2O6 are revisited using an advanced carrier transport approach based on the exact solution of the Boltzmann transport equation for electron–phonon scattering. This method not only highlights the high mobility potential of these Sb(V) oxides but also offers deeper insights into the underlying electron–phonon scattering mechanisms ...
Romain Claes, David O. Scanlon
wiley +1 more source
Fragme∩t: An Open‐Source Framework for Multiscale Quantum Chemistry Based on Fragmentation
WIREs Computational Molecular Science, Volume 15, Issue 6, November/December 2025.This review introduces a new open‐source Python framework for rapid validation and prototyping of fragment‐based quantum chemistry methods, designed to be easy to deploy and modify by non‐experts. It is based on a foundation of the generalized many‐body expansion, which can encompass numerous fragmentation methods, combined with energy screening that ...
Dustin R. Broderick +8 more
wiley +1 more source
Journal of Numerical Analysis and Approximation Theory, 2008 We provide new semilocal results for Newton's method on Banach spaces with a convergence structure. Using more precise majorizing sequence we show that, under weaker convergence conditions than before, we can obtain finer error bounds on the distances ...
Ioannis K. Argyros
doaj +2 more sources
Rationalising Exciton Interactions in Aggregates Based on the Transition Density
Chemistry – A European Journal, Volume 31, Issue 52, September 16, 2025.Exciton coupling in organic chromophores is revisited through the lens of the transition density. The presented formalism gives insight into the strength and sign of the coupling based on the relative arrangement of the lobes of the transition density explaining oscillations between H‐ and J‐aggregate behavior observed when two molecules are displaced ...
Joshua Krieger, Felix Plasser
wiley +1 more source
The cubic semilocal convergence on two variants of Newton's method
, 2008 In this paper, we discuss two variants of Newton's method without using any second derivative for solving nonlinear equations. By using the majorant function and confirming the majorant sequences, we obtain the cubic semilocal convergence and the error ...
Liu, Zhongli, Bai, Rongxia, Zheng, Quan
core +1 more source
Extended convergence of two-step iterative methods for solving equations with applications
Journal of Numerical Analysis and Approximation TheoryThe convergence of two-step iterative methods of third and fourth order of convergence are studied under weaker hypotheses than in earlier works using our new idea of the restricted convergence region.
Ioannis K. Argyros, Santhosh George
doaj +1 more source
High Thermoelectric Performance in Low‐Cost Cu8SiSxSe6‐x Argyrodite
Advanced Functional Materials, Volume 35, Issue 34, August 22, 2025.This study discovers the great potential of Cu8SiSxSe6‐x argyrodites as new, low‐cost, Te‐free thermoelectric materials. The proposed defect scheme suppresses the phase transition, enhances the weighted mobility and optimizes the grain boundary contacts.
Taras Parashchuk +7 more
wiley +1 more source
Auxiliary point on the semilocal convergence of Newton's method [PDF]
, 2017 We use an auxiliary point in the analysis of the semilocal convergence of Newton’smethod under center conditions on high order derivatives of the operator involved anduse the majorant principle of Kantorovich to do ...
M. A. Hernández-Verón [0000-0001-5478-2958] +1 more
core
Diffusion of Ge Donors in β‐Ga2O3
physica status solidi (b), Volume 262, Issue 8, August 2025.Ge behaves as a shallow donor and is a commonly used n‐type dopant in β‐Ga2O3. To achieve precise control over dopant distributions, understanding the Ge diffusion process in β‐Ga2O3 is essential. This study combines experimental diffusion profiles with hybrid functional calculations and diffusion simulations to both predict the diffusion of Ge and ...
Ylva K. Hommedal +3 more
wiley +1 more source
Structure of hyperbolic polynomial automorphisms of C2${\mathbb {C}^2}$ with disconnected Julia sets
Proceedings of the London Mathematical Society, Volume 130, Issue 6, June 2025.Abstract For a hyperbolic polynomial automorphism of C2$\mathbb {C}^2$ with a disconnected Julia set, and under a mild dissipativity condition, we give a topological description of the components of the Julia set. Namely, there are finitely many “quasi‐solenoids” that govern the asymptotic behavior of the orbits of all nontrivial components.
Romain Dujardin, Mikhail Lyubich
wiley +1 more source