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- Direct_quantum_chemistry abstract "Direct quantum chemistry covers a set of quantum chemical methods not using the Born–Oppenheimer representation. Direct quantum chemistry considers the motion of the nuclei and the electrons on the same time scales. The method therefore considers the molecular Hamiltonian as a whole without trying to solve separately the Schrödinger equation associated to the electronic molecular Hamiltonian. Though the method is non-adiabatic it is distinguishable from most non adiabatic methods for treating the molecular dynamics, which typically use the Born-Oppenheimer representation, but become non-adiabatic by considering vibronic coupling explicitly. Direct quantum chemistry is applied in the modelling of high-speed atomic collisions, where the nuclear motion may be comparable or faster than the electronic motion.The group of Yngve Öhrn in Gainesville, Florida has been a pioneer in this field. He applied the method to the collision between two hydrogen atoms.".
- Direct_quantum_chemistry wikiPageID "3428881".
- Direct_quantum_chemistry wikiPageLength "1241".
- Direct_quantum_chemistry wikiPageOutDegree "10".
- Direct_quantum_chemistry wikiPageRevisionID "544230657".
- Direct_quantum_chemistry wikiPageWikiLink Born–Oppenheimer_approximation.
- Direct_quantum_chemistry wikiPageWikiLink Category:Quantum_chemistry.
- Direct_quantum_chemistry wikiPageWikiLink Electronic_molecular_Hamiltonian.
- Direct_quantum_chemistry wikiPageWikiLink Gainesville,_Florida.
- Direct_quantum_chemistry wikiPageWikiLink Hydrogen_atom.
- Direct_quantum_chemistry wikiPageWikiLink Molecular_Hamiltonian.
- Direct_quantum_chemistry wikiPageWikiLink Quantum_chemistry.
- Direct_quantum_chemistry wikiPageWikiLink Schrödinger_equation.
- Direct_quantum_chemistry wikiPageWikiLink Vibronic_coupling.
- Direct_quantum_chemistry wikiPageWikiLink Yngve_Öhrn.
- Direct_quantum_chemistry wikiPageWikiLinkText "Direct quantum chemistry".
- Direct_quantum_chemistry wikiPageWikiLinkText "direct quantum chemistry".
- Direct_quantum_chemistry auto "yes".
- Direct_quantum_chemistry date "December 2009".
- Direct_quantum_chemistry hasPhotoCollection Direct_quantum_chemistry.
- Direct_quantum_chemistry wikiPageUsesTemplate Template:Quantum-stub.
- Direct_quantum_chemistry wikiPageUsesTemplate Template:Theoretical-chem-stub.
- Direct_quantum_chemistry wikiPageUsesTemplate Template:Unreferenced_stub.
- Direct_quantum_chemistry subject Category:Quantum_chemistry.
- Direct_quantum_chemistry type Article.
- Direct_quantum_chemistry type Article.
- Direct_quantum_chemistry type Mechanic.
- Direct_quantum_chemistry comment "Direct quantum chemistry covers a set of quantum chemical methods not using the Born–Oppenheimer representation. Direct quantum chemistry considers the motion of the nuclei and the electrons on the same time scales. The method therefore considers the molecular Hamiltonian as a whole without trying to solve separately the Schrödinger equation associated to the electronic molecular Hamiltonian.".
- Direct_quantum_chemistry label "Direct quantum chemistry".
- Direct_quantum_chemistry sameAs Chimie_quantique_directe.
- Direct_quantum_chemistry sameAs m.09bzsv.
- Direct_quantum_chemistry sameAs Q2963669.
- Direct_quantum_chemistry sameAs Q2963669.
- Direct_quantum_chemistry wasDerivedFrom Direct_quantum_chemistry?oldid=544230657.
- Direct_quantum_chemistry isPrimaryTopicOf Direct_quantum_chemistry.