The Pseudopotential Approach within Density-Functional Theory: The Case of Atomic Metallic Hydrogen

The Pseudopotential Approach within Density-Functional Theory: The Case of Atomic Metallic Hydrogen

Internal energies, enthalpies, phonon dispersion curves, and superconductivity of atomic metallic hydrogen are calculated. The standard use of pseudopotentials in density-functional theory are compared with full Coulomb-potential, all-electron linear muffin-tin orbital calculations. Quantitatively s...

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Bibliographic Details
Main Authors: Jin Zhang, Jeevake Attapattu, Jeffrey M. McMahon
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Condensed Matter
Subjects:
hydrogen
high pressure
phase diagram
superconductivity
density-functional theory
Eliashberg equations
Online Access:https://www.mdpi.com/2410-3896/5/4/74

Internet

https://www.mdpi.com/2410-3896/5/4/74

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