Error-related functional connectivity of the thalamus in cocaine dependence
NeuroImage: Clinical, 2014 Error processing is a critical component of cognitive control, an executive function that has been widely implicated in substance misuse. In previous studies we showed that error related activations of the thalamus predicted relapse to drug use in ...
Sheng Zhang +4 more
doaj +1 more source
FUNCTIONAL-TYPE A POSTERIORI ERROR ESTIMATES FOR SOLUTIONS IN DEFORMABLE SOLID MECHANICS
St. Petersburg Polytechnical University Journal: Physics and Mathematics, 2020 Paper provides a historical review and recent developments on theoretical justification and numerical implementations of functional a posteriori error estimates and adaptive algorithms for approximate solutions to problems in deformable solid mechanics ...
Valdman Jan, Frolov Maxim
doaj +1 more source
A variational polaron self-interaction corrected total-energy functional for charge excitations in wide-band gap insulators [PDF]
, 2015 We conduct a detailed investigation of the polaron self-interaction (pSI) error in standard approximations to the exchange-correlation (XC) functional within density-functional theory (DFT).
Erhart, Paul +2 more
core +2 more sources
Exchange-Correlation Energy from Pairing Matrix Fluctuation and the Particle-Particle Random Phase Approximation [PDF]
, 2013 We formulate an adiabatic connection for the exchange-correlation energy in terms of pairing matrix fluctuation. This connection opens new channels for density functional approximations based on pairing interactions.
van Aggelen, Helen +2 more
core +4 more sources
Calculation of Coefficients of the Optimal Quadrature Formulas in
AxiomsIn this paper, we construct an optimal quadrature formula in the sense of Sard by Sobolev’s method in the W2(7,0) space. We give explicit expressions for the corresponding optimal coefficients.
Ying Yang, Xuehua Li
doaj +1 more source
Understanding and reducing errors in density functional calculations
, 2013 We decompose the energy error of any variational DFT calculation into a contribution due to the approximate functional and that due to the approximate density.
Burke, Kieron +2 more
core +1 more source
Weighted Optimal Quadrature Formulas in Sobolev Space and Their Applications
AlgorithmsThe optimization of computational algorithms is one of the main problems of computational mathematics. This optimization is well demonstrated by the example of the theory of quadrature and cubature formulas.
Kholmat Shadimetov, Khojiakbar Usmanov
doaj +1 more source
, 2012 Without the use of any empirical fitting to experimental or high-level ab initio data, we present a double-hybrid density functional approximation for the exchange-correlation energy, combining the exact Hartree-Fock exchange and second-order Moller ...
Adamo +50 more
core +1 more source
A Posteriori Error Analysis for the Optimal Control of Magneto-Static Fields [PDF]
, 2016 This paper is concerned with the analysis and numerical analysis for the optimal control of first-order magneto-static equations. Necessary and sufficient optimality conditions are established through a rigorous Hilbert space approach. Then, on the basis
Pauly, Dirk, Yousept, Irwin
core +2 more sources
Dietary Protein Intake and Peritoneal Protein Losses in Peritoneal Dialysis Patients
Therapeutic Apheresis and Dialysis, EarlyView.ABSTRACT Introduction Peritoneal dialysis (PD) patients lose protein in their waste dialysate, potentially increasing their risk for malnutrition. We wished to determine whether there was any association between losses and dietary protein intake (DPI). Methods DPI was assessed from 24‐h dietary recall using Nutrics software.
Haalah Shaaker, Andrew Davenport
wiley +1 more source