Assessment of the Perdew–Burke–Ernzerhof Exchange-Correlation Functional

Journal of Chemical Physics - United States
doi 10.1063/1.478401
Full Text
Abstract

Available in full text

Date
Authors
Publisher

AIP Publishing

Related search

Improved Adsorption Energetics Within Density-Functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals

Physical Review B
1999English

Efficient Hybrid Density Functional Calculations in Solids: Assessment of the Heyd–Scuseria–Ernzerhof Screened Coulomb Hybrid Functional

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2004English

Exploring Non-Adiabatic Approximations to the Exchange-Correlation Functional of TDDFT

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Vorticity Expansion Approximation of the Exchange-Correlation Energy Functional in Current Density Functional Theory

Physical Review B
2006English

Influence of the Exchange-Correlation Functional on the Quasi-Harmonic Lattice Dynamics of II-VI Semiconductors

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Density-Functional-Theory Response-Property Calculations With Accurate Exchange-Correlation Potentials

Physical Review A
1998English

Description of Exchange and Correlation in the Strongly Inhomogeneous Electron Gas Using a Nonlocal Density Functional

Physical Review B
2002English

Description of Carbo-Oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-Mers

English

Assessing Exchange-Correlation Functional Performance for Structure and Property Predictions of Oxyfluoride Compounds From First Principles

Physical Review B
OpticalElectronicCondensed Matter PhysicsMagnetic Materials
2016English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy