Optimized local basis set for Kohn-Sham density functional theory (Q440653): Difference between revisions
From MaRDI portal
Revision as of 13:26, 5 July 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimized local basis set for Kohn-Sham density functional theory |
scientific article |
Statements
Optimized local basis set for Kohn-Sham density functional theory (English)
0 references
19 August 2012
0 references
electronic structure
0 references
Kohn-Sham density functional theory
0 references
optimized local basis set
0 references
discontinuous Galerkin
0 references
trace minimization
0 references
molecular dynamics
0 references
Pulay force
0 references
GMRES
0 references
preconditioning
0 references
0 references
