Multi-configurational self-consistent field
GPTKB entity
Statements (16)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
Quantum chemistry method
|
| gptkbp:abbreviation |
gptkb:MCSCF
|
| gptkbp:category |
gptkb:Quantum_mechanics
Computational chemistry |
| gptkbp:developedBy |
Systems with strong electron correlation
|
| gptkbp:generalizes |
gptkb:Hartree–Fock_method
|
| https://www.w3.org/2000/01/rdf-schema#label |
Multi-configurational self-consistent field
|
| gptkbp:optimizedFor |
Configuration interaction coefficients
Molecular orbitals |
| gptkbp:relatedTo |
gptkb:RASSCF
CASSCF |
| gptkbp:usedFor |
Electronic structure calculations
|
| gptkbp:usedIn |
Quantum chemistry
|
| gptkbp:uses |
Multiple electronic configurations
|
| gptkbp:bfsParent |
gptkb:Hartree-Fock_method
|
| gptkbp:bfsLayer |
6
|