Phonon-assisted optical absorption in BaSnO$_3$ from first principles
, 2017 The perovskite BaSnO$_3$ provides a promising platform for the realization of an earth abundant $n$-type transparent conductor. Its optical properties are dominated by a dispersive conduction band of Sn $5s$ states, and by a flatter valence band of O $2p$
Dreyer, Cyrus E. +2 more
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Expanding the applicability of the Gauss-Newton method for a certain class of systems of equations
Journal of Numerical Analysis and Approximation Theory, 2016 We present a new semilocal convergence analysis of the Gauss-Newton method in order to solve a certain class of systems of equations under a majorant condition.
Ioannis K. Argyros, Santhosh George
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SEMI-LOCAL CONVERGENCE OF A DERIVATIVE-FREEMETHOD FOR SOLVING EQUATIONS
Проблемы анализа, 2021 We present the semi-local convergence analysis of atwo-step derivative-free method for solving Banach space valuedequations. The convergence criteria are based only on the firstderivative and our idea of recurrent functions.
Gus Argyros +3 more
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Poincar\'e inequalities and Newtonian Sobolev functions on noncomplete metric spaces
, 2019 Let $X$ be a noncomplete metric space satisfying the usual (local) assumptions of a doubling property and a Poincar\'e inequality. We study extensions of Newtonian Sobolev functions to the completion $\widehat{X}$ of $X$ and use them to obtain several ...
Björn, Anders, Björn, Jana
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Convergence Behavior for Newton-Steffensen’s Method under -Condition of Second Derivative
Abstract and Applied Analysis, 2013 The present paper is concerned with the semilocal as well as the local convergence problems of Newton-Steffensen’s method to solve nonlinear operator equations in Banach spaces.
Yonghui Ling, Xiubin Xu, Shaohua Yu
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Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory [PDF]
, 2008 Two different adsorption configurations of benzene on the Si(001)-(2 x 1) surface, the tight-bridge and butterfly structures, were studied using density functional theory.
Bengt I. Lundqvist +5 more
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AlgorithmsIn the present paper, we prove a new local convergence theorem with initial conditions and error estimates that ensure the Q-quadratic convergence of a modification of the famous Weierstrass method.
Plamena I. Marcheva +2 more
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Two-point method for solving nonlinear equation with nondifferentiable operator (in Ukrainian) [PDF]
Математичні Студії, 2011 In the paper we study a combined differential-difference method for solving nonlinear equations with non-differentiable operator. The semilocal convergence of the method is investigated and the order of convergence is established.
S. M. Shakhno, H. P. Yarmola
doaj
On the calculation of the stress tensor in real-space Kohn-Sham Density Functional Theory
, 2018 We present an accurate and efficient formulation of the stress tensor for real-space Kohn-Sham Density Functional Theory (DFT) calculations. Specifically, while employing a local formulation of the electrostatics, we derive a linear-scaling expression ...
Sharma, Abhiraj, Suryanarayana, Phanish
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A semilocal convergence analysis for directional Newton methods [PDF]
Mathematics of Computation, 2010 The author provides a semilocal convergence analysis for directional Newton methods in \(n\)-variables.The results are weaker convergence conditions, a larger convergence domain, finer error estimates on the distances involved and precise information on the location of the zero of the function. A numerical example is provided.
openaire +2 more sources