Related Experiment Video
Updated: Jul 8, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Uniqueness of the iterative solution of the optimized effective potential equation
1School of Physics, University of the Witwatersrand, P.O. Wits, 2050 Johannesburg, South Africa. joubertd@phsics.wits.ac.za
Abstract:
The optimized effective potential (OEP) equation can be used in a numerically efficient self-consistent form to solve for the density functional exchange and correlation potentials, as shown in a recent paper of Kummel and Perdew [Phys. Rev. Lett. 90, 43004 (2003)]. The uniqueness of an iterative solution of the OEP equation has not yet been adequately addressed. In this paper, it is shown that no nonconstant multiplicative potentials that can contaminate an iterative solution of the OEP equation exist and, hence, that formally the exact exchange-correlation potential determined form of the OEP equation is unique to within a constant.
More Related Videos
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
12:11Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Related Concept Videos
Second Uniqueness Theorem
In contrast, consider that the electric field is non-unique and apply Gauss's law in divergence form in the region between the conductors and the integral form to the surface...
Potential-Energy Criterion for Equilibrium
Equilibrium Conditions for a Particle
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
Poisson's And Laplace's Equation
Stability of Equilibrium Configuration: Problem Solving
Problem-solving in the context of the stability of equilibrium configuration...
Alternative Sets of Equilibrium Equations
One example of such a situation can be observed in a...