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- Quantum_chemistry_composite_methods abstract "Quantum chemistry composite methods (also referred to as thermochemical recipes) are computational chemistry methods that aim for high accuracy by combining the results of several calculations. They combine methods with a high level of theory and a small basis set with methods that employ lower levels of theory with larger basis sets. They are commonly used to calculate thermodynamic quantities such as enthalpies of formation, atomization energies, ionization energies and electron affinities. They aim for chemical accuracy which is usually defined as within 1 kcal/mol of the experimental value. The first systematic model chemistry of this type with broad applicability was called Gaussian-1 (G1) introduced by John Pople. This was quickly replaced by the Gaussian-2 (G2) which has been used extensively. The Gaussian-3 (G3) was introduced later.".
- Quantum_chemistry_composite_methods wikiPageID "12323349".
- Quantum_chemistry_composite_methods wikiPageLength "20426".
- Quantum_chemistry_composite_methods wikiPageOutDegree "35".
- Quantum_chemistry_composite_methods wikiPageRevisionID "705745001".
- Quantum_chemistry_composite_methods wikiPageWikiLink Angela_K._Wilson.
- Quantum_chemistry_composite_methods wikiPageWikiLink Basis_set_(chemistry).
- Quantum_chemistry_composite_methods wikiPageWikiLink Category:Post-Hartree–Fock_methods.
- Quantum_chemistry_composite_methods wikiPageWikiLink Computational_chemistry.
- Quantum_chemistry_composite_methods wikiPageWikiLink Coupled_cluster.
- Quantum_chemistry_composite_methods wikiPageWikiLink Density_functional_theory.
- Quantum_chemistry_composite_methods wikiPageWikiLink GAMESS.
- Quantum_chemistry_composite_methods wikiPageWikiLink Gaussian_(software).
- Quantum_chemistry_composite_methods wikiPageWikiLink Hamiltonian_mechanics.
- Quantum_chemistry_composite_methods wikiPageWikiLink Hartree–Fock_energy.
- Quantum_chemistry_composite_methods wikiPageWikiLink Hartree–Fock_method.
- Quantum_chemistry_composite_methods wikiPageWikiLink Hybrid_functional.
- Quantum_chemistry_composite_methods wikiPageWikiLink John_Pople.
- Quantum_chemistry_composite_methods wikiPageWikiLink Mulliken_population_analysis.
- Quantum_chemistry_composite_methods wikiPageWikiLink Møller–Plesset_perturbation_theory.
- Quantum_chemistry_composite_methods wikiPageWikiLink NWChem.
- Quantum_chemistry_composite_methods wikiPageWikiLink Quadratic_configuration_interaction.
- Quantum_chemistry_composite_methods wikiPageWikiLink Quantum_chemistry_composite_methods.
- Quantum_chemistry_composite_methods wikiPageWikiLink Spartan_(software).
- Quantum_chemistry_composite_methods wikiPageWikiLink Spin–orbit_interaction.
- Quantum_chemistry_composite_methods wikiPageWikiLink Zero-point_energy.
- Quantum_chemistry_composite_methods wikiPageWikiLink File:T1_vs_NIST_Expiremental_Heat_of_Formation.png.
- Quantum_chemistry_composite_methods wikiPageWikiLinkText "Quantum chemistry composite methods".
- Quantum_chemistry_composite_methods wikiPageWikiLinkText "correlation consistent Composite Approach".
- Quantum_chemistry_composite_methods wikiPageWikiLinkText "quantum chemistry composite methods".
- Quantum_chemistry_composite_methods wikiPageWikiLinkText "thermochemical recipes".
- Quantum_chemistry_composite_methods wikiPageUsesTemplate Template:Cite_book.
- Quantum_chemistry_composite_methods wikiPageUsesTemplate Template:Electronic_structure_methods.
- Quantum_chemistry_composite_methods subject Category:Post-Hartree–Fock_methods.
- Quantum_chemistry_composite_methods hypernym Methods.
- Quantum_chemistry_composite_methods type Software.
- Quantum_chemistry_composite_methods comment "Quantum chemistry composite methods (also referred to as thermochemical recipes) are computational chemistry methods that aim for high accuracy by combining the results of several calculations. They combine methods with a high level of theory and a small basis set with methods that employ lower levels of theory with larger basis sets. They are commonly used to calculate thermodynamic quantities such as enthalpies of formation, atomization energies, ionization energies and electron affinities.".
- Quantum_chemistry_composite_methods label "Quantum chemistry composite methods".
- Quantum_chemistry_composite_methods sameAs Q3333575.
- Quantum_chemistry_composite_methods sameAs Méthode_composite_de_chimie_quantique.
- Quantum_chemistry_composite_methods sameAs m.02v_81l.
- Quantum_chemistry_composite_methods sameAs Q3333575.
- Quantum_chemistry_composite_methods wasDerivedFrom Quantum_chemistry_composite_methods?oldid=705745001.
- Quantum_chemistry_composite_methods isPrimaryTopicOf Quantum_chemistry_composite_methods.