Unconstrained energy functionals for electronic structure calculations (Q1284561)
From MaRDI portal
scientific article
Language | Label | Description | Also known as |
---|---|---|---|
English | Unconstrained energy functionals for electronic structure calculations |
scientific article |
Statements
Unconstrained energy functionals for electronic structure calculations (English)
0 references
28 October 1999
0 references
electronic structure
0 references
density functional theory
0 references
energy functional
0 references
conjugate gradients
0 references
convergence
0 references
Schrödinger equation
0 references
quantum-mechanical system
0 references
numerical example
0 references
diamond crystal
0 references