A Locally Weil-Behaved Potential Function and a Simple Newton-Type Method for Finding the Center of a Polytope

Author(s):  
Pravin M. Vaidya
2013 ◽  
Vol 3 (2) ◽  
pp. 197-202
Author(s):  
Amir Pishkoo ◽  
Maslina Darus

This paper presents a mathematical model that provides analytic connection between four fundamental forces (interactions), by using modified reciprocal theorem,derived in the paper, as a convenient template. The essential premise of this work is to demonstrate that if we obtain with a form of the Yukawa potential function [as a meromorphic univalent function], we may eventually obtain the Coloumb Potential as a univalent function outside of the unit disk. Finally, we introduce the new problem statement about assigning Meijer's G-functions to Yukawa and Coloumb potentials as an open problem.


2019 ◽  
Author(s):  
Elvar Jónsson ◽  
Asmus Ougaard Dohn ◽  
Hannes Jonsson

This work describes a general energy functional formulation of a polarizable embedding QM/MM scheme, as well as an implementation where a real-space Grid-based Projector Augmented Wave (GPAW) DFT method is coupled with a potential function for H<sub>2</sub>O based on a Single Center Multipole Expansion (SCME) of the electrostatics, including anisotropic dipole and quadrupole polarizability.


2018 ◽  
pp. 51-71
Author(s):  
Aleksey Aksenov ◽  
◽  
V. Chechetkin ◽  
Vladimir Tishkin ◽  
◽  
...  

2015 ◽  
Vol 21 (3) ◽  
pp. NP64-NP65 ◽  
Author(s):  
Shu-Cherng Fang ◽  
David Yang Gao ◽  
Gang-Xuan Lin ◽  
Ruey-Lin Sheu ◽  
Wen-Xun Xing

2012 ◽  
Vol 220-223 ◽  
pp. 2585-2588
Author(s):  
Zhong Yong Hu ◽  
Fang Liang ◽  
Lian Zhong Li ◽  
Rui Chen

In this paper, we present a modified sixth order convergent Newton-type method for solving nonlinear equations. It is free from second derivatives, and requires three evaluations of the functions and two evaluations of derivatives per iteration. Hence the efficiency index of the presented method is 1.43097 which is better than that of classical Newton’s method 1.41421. Several results are given to illustrate the advantage and efficiency the algorithm.


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