A Conjugate Gradient Method for Electronic Structure Calculations (Q4595782)
From MaRDI portal
scientific article; zbMATH DE number 6815995
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A Conjugate Gradient Method for Electronic Structure Calculations |
scientific article; zbMATH DE number 6815995 |
Statements
A Conjugate Gradient Method for Electronic Structure Calculations (English)
0 references
6 December 2017
0 references
conjugate gradient method
0 references
density functional theory
0 references
electronic structure
0 references
optimization
0 references
algorithm
0 references
ground state energy
0 references
molecular systems
0 references
numerical experiments
0 references
0 references
0 references
0 references
0 references
0 references
