Configuration Interaction method
GPTKB entity
Statements (24)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
quantum chemistry method
|
| gptkbp:basedOn |
linear combination of Slater determinants
|
| gptkbp:developedBy |
20th century
|
| https://www.w3.org/2000/01/rdf-schema#label |
Configuration Interaction method
|
| gptkbp:implementedIn |
gptkb:Gaussian_software
GAMESS software Molpro software |
| gptkbp:improves |
gptkb:Hartree-Fock_method
|
| gptkbp:input |
molecular orbitals
|
| gptkbp:limitation |
computationally expensive
size-consistency problem |
| gptkbp:output |
electronic energy
electronic wavefunction |
| gptkbp:purpose |
approximate electronic structure of molecules
|
| gptkbp:relatedTo |
gptkb:Møller–Plesset_perturbation_theory
Coupled Cluster method |
| gptkbp:usedIn |
gptkb:quantum_physics
computational chemistry |
| gptkbp:variant |
Full CI
CISDT (Configuration Interaction Singles, Doubles, and Triples) CISD (Configuration Interaction Singles and Doubles) CIS (Configuration Interaction Singles) |
| gptkbp:bfsParent |
gptkb:Quantum_Monte_Carlo
|
| gptkbp:bfsLayer |
7
|