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gptkbp:instanceOf
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gptkb:computational_chemistry_method
gptkb:quantum_chemistry_method
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gptkbp:appliesTo
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solids
atoms
molecules
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gptkbp:basedOn
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gptkb:mean-field_theory
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gptkbp:basisFor
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self-consistent field (SCF) approach
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gptkbp:category
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ab initio method
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gptkbp:developedBy
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1920s
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gptkbp:estimatedCost
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many-electron wavefunction
|
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gptkbp:generalizes
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gptkb:unrestricted_Hartree-Fock
gptkb:restricted_Hartree-Fock
generalized Hartree-Fock
|
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gptkbp:implementedIn
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gptkb:GAMESS
gptkb:NWChem
gptkb:ORCA
gptkb:Gaussian_software
|
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gptkbp:improves
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gptkb:post-Hartree-Fock_methods
|
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gptkbp:limitation
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neglects electron correlation
|
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gptkbp:namedAfter
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gptkb:Douglas_Hartree
gptkb:Vladimir_Fock
|
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gptkbp:output
|
electron density
molecular orbitals
total electronic energy
|
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gptkbp:relatedTo
|
gptkb:Møller–Plesset_perturbation_theory
gptkb:density_functional_theory
configuration interaction
coupled cluster theory
|
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gptkbp:usedFor
|
approximate solution of the Schrödinger equation
|
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gptkbp:uses
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gptkb:Slater_determinant
|
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gptkbp:bfsParent
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gptkb:DipRCO
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gptkbp:bfsLayer
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8
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https://www.w3.org/2000/01/rdf-schema#label
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Hartree-Fock methods
|