Statements (15)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational chemistry method
|
| gptkbp:developedBy |
gptkb:Frank_Neese
|
| https://www.w3.org/2000/01/rdf-schema#label |
ORCA method
|
| gptkbp:implementedIn |
ORCA software
|
| gptkbp:supports |
transition metal complexes
relativistic effects open-shell systems ab initio calculations DFT calculations semi-empirical calculations |
| gptkbp:usedFor |
molecular electronic structure calculations
spectroscopic property calculations |
| gptkbp:usedIn |
quantum chemistry
|
| gptkbp:bfsParent |
gptkb:ORCA:_Progressive_Learning_from_Complex_Explanation_Traces_of_GPT-4
|
| gptkbp:bfsLayer |
7
|