Ab initio molecular simulations with numeric atom-centered orbitals (Q711800)
From MaRDI portal
 | This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use this page instead for the normal view: Ab initio molecular simulations with numeric atom-centered orbitals |
scientific article; zbMATH DE number 5807183
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Ab initio molecular simulations with numeric atom-centered orbitals |
scientific article; zbMATH DE number 5807183 |
Statements
Ab initio molecular simulations with numeric atom-centered orbitals (English)
0 references
28 October 2010
0 references
ab initio molecular simulations
0 references
density-functional theory
0 references
atom-centered basis functions
0 references
Hartree-Fock
0 references
MP2
0 references
\(O(N)\) DFT
0 references
\(GW\) self-energy
0 references
0 references
0 references
0 references
0.8822646
0 references
0.8797226
0 references
0.87396336
0 references
0.8667221
0 references
0.8653769
0 references
