Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631): Difference between revisions
From MaRDI portal
Set OpenAlex properties. |
Normalize DOI. |
||
| (One intermediate revision by one other user not shown) | |||
| Property / DOI | |||
| Property / DOI: 10.1016/j.cpc.2014.12.021 / rank | |||
| Property / DOI | |||
| Property / DOI: 10.1016/J.CPC.2014.12.021 / rank | |||
Normal rank | |||
Latest revision as of 14:05, 9 December 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations |
scientific article |
Statements
Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (English)
0 references
13 September 2016
0 references
orbital-free density functional theory
0 references
kinetic energy density functional
0 references
first-principles methods
0 references
electronic structure
0 references
molecular dynamics
0 references
