Accurate Lattice Geometrical Parameters and Bulk Moduli From a Semilocal Density Functional

AIP Advances - United States
doi 10.1063/1.5050241
Full Text
Abstract

Available in full text

Date
Authors
Publisher

AIP Publishing

Related search

Accurate Double Excitations From Ensemble Density Functional Calculations

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2018English

Density Functional Theory for the Elastic Moduli of a Model Polymeric Solid

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2003English

The Lattice Parameters and Residual Stresses in Bulk Nanocrystalline and Ultrafine-Grained Titanium

East European Journal of Physics
2017English

Variational Density-Functional Perturbation Theory for Dielectrics and Lattice Dynamics

Physical Review B
2006English

Accurate Determination of Band Gaps Within Density Functional Formalism

Physical Review B
2013English

Challenges for Semilocal Density Functionals With Asymptotically Nonvanishing Potentials

Physical Review B
OpticalElectronicCondensed Matter PhysicsMagnetic Materials
2017English

Density Functional Theory for a Model Colloid Polymer Mixture: Bulk Fluid Phases

Journal of Physics Condensed Matter
Materials ScienceCondensed Matter Physics
2002English

Ab-Initio Density-Functional Lattice-Dynamics Studies of Ice

Canadian Journal of Physics
AstronomyPhysics
2003English

Is Density Functional Theory Accurate for Lytic Polysaccharide Monooxygenase Enzymes?

Dalton Transactions
Inorganic Chemistry
2020English

Amanote Research

Note-taking for researchers

Follow Amanote

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

Privacy PolicyRefund Policy