Statements (19)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
quantum chemistry method
|
| gptkbp:allows |
partitioning of active space
|
| gptkbp:developedBy |
multiconfigurational electronic structure calculations
B.O. Roos |
| gptkbp:handles |
static electron correlation
|
| https://www.w3.org/2000/01/rdf-schema#label |
RASSCF
|
| gptkbp:implementedIn |
gptkb:Molpro
gptkb:ORCA gptkb:OpenMolcas |
| gptkbp:introducedIn |
1980
|
| gptkbp:publishedIn |
gptkb:Journal_of_Physical_Chemistry
|
| gptkbp:relatedTo |
CASSCF
|
| gptkbp:standsFor |
Restricted Active Space Self-Consistent Field
|
| gptkbp:usedFor |
transition metal complexes
open-shell systems excited states |
| gptkbp:usedIn |
computational chemistry
|
| gptkbp:bfsParent |
gptkb:Multi-configurational_self-consistent_field
|
| gptkbp:bfsLayer |
7
|