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In this paper, we prove common fixed point results for a self-mappings satisfying an implicit function which is general enough to cover a multitude of known as well as unknown contractions. Our results modify, unify, extend and generalize…

Functional Analysis · Mathematics 2017-01-03 Mohammad Imdad , Rqeeb Gubran , Md Ahmadullah

This paper gives a summary of basic concepts of density-functional theory (DFT) and its use in state-of-the-art computations of complex processes in condensed matter physics and materials science. In particular we discuss how microscopic…

Materials Science · Physics 2008-02-03 C. Ratsch , P. Ruggerone , M. Scheffler

Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural…

Nuclear Theory · Physics 2007-05-23 S. J. Puglia , A. Bhattacharyya , R. J. Furnstahl

Fluence map optimization for intensity-modulated radiation therapy planning can be formulated as a large-scale inverse problem with competing objectives and constraints associated with the tumors and organs-at-risk. Unfortunately,…

Optimization and Control · Mathematics 2022-02-17 Kelsey Maass , Minsun Kim , Aleksandr Aravkin

Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes…

Chemical Physics · Physics 2015-06-19 Min-Cheol Kim , Eunji Sim , Kieron Burke

Mechanical models for tumor growth have been used extensively in recent years for the analysis of medical observations and for the prediction of cancer evolution based on imaging analysis. This work deals with the numerical approximation of…

Numerical Analysis · Mathematics 2015-04-24 Konstantina Trivisa , Franziska Weber

We develop fixed-point algorithms for the approximation of structured matrices with rank penalties. In particular we use these fixed-point algorithms for making approximations by sums of exponentials, or frequency estimation. For the basic…

Numerical Analysis · Mathematics 2016-01-07 Fredrik Andersson , Marcus Carlsson

We propose a novel extension to symmetrized neural network operators by incorporating fractional and mixed activation functions. This study addresses the limitations of existing models in approximating higher-order smooth functions,…

Machine Learning · Statistics 2025-01-22 Rômulo Damasclin Chaves dos Santos , Jorge Henrique de Oliveira Sales

New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…

Nuclear Theory · Physics 2018-09-26 Jérémy Bonnard , Marcella Grasso , Denis Lacroix

An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the…

Computational Physics · Physics 2025-06-12 Alexander V. Oleynichenko , Andrei Zaitsevskii , Leonid V. Skripnikov , Ephraim Eliav

In this paper, we introduce a new class of implicit function to prove common fixed point theorems in fuzzy metric space. Moreover we define a new altering distance in terms of integral and utilize the same to deduce integral type…

Functional Analysis · Mathematics 2018-07-09 Rachana Soni

In this article, a new class of operators, termed Ad-contractions, is introduced to extend the framework of A-contractions to the setting of dislocated metric spaces. Fixed point results are established for single mappings, sequences of…

General Topology · Mathematics 2025-07-22 Prasun Panthi , Dinesh Panthi

Some fixed point results are given for a class of functional contractions over partial metric spaces. These extend some contributions in the area due to Ilic et al [Math. Comput. Modelling, 55 (2012), 801-809].

General Topology · Mathematics 2012-03-27 Mihai Turinici

Methods for proving functional limit laws are developed for sequences of stochastic processes which allow a recursive distributional decomposition either in time or space. Our approach is an extension of the so-called contraction method to…

Probability · Mathematics 2015-09-10 Ralph Neininger , Henning Sulzbach

Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…

Chemical Physics · Physics 2023-08-07 Weiluo Ren , Weizhong Fu , Xiaojie Wu , Ji Chen

Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…

Other Condensed Matter · Physics 2016-08-03 David D. O'Regan , Gilberto Teobaldi

This paper deals with the classic radiotherapy dose fractionation problem for cancer tumors concerning the following goals: a) To maximize the effect of radiation on the tumor, restricting the effect produced to the organs at risk (healing…

Optimization and Control · Mathematics 2021-02-17 Luis Alberto Fernández , Lucía Fernández

We study the convergence of a family of numerical integration methods where the numerical integral is formulated as a finite matrix approximation to a multiplication operator. For bounded functions, the convergence has already been…

Numerical Analysis · Mathematics 2023-03-28 Juha Sarmavuori , Simo Särkkä

We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…

Computational Physics · Physics 2017-10-18 Cody A. Melton , Lubos Mitas

Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches of chemistry and materials science.…

Chemical Physics · Physics 2015-06-03 Kieron Burke