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- Conical_intersection abstract "In quantum chemistry, a conical intersection of two potential energy surfaces is the set of molecular geometry points where the two potential energy surfaces are degenerate (intersect) and the non-adiabatic couplings between these two states are non-vanishing. In the vicinity of conical intersections, the Born–Oppenheimer approximation breaks down, allowing non-adiabatic processes to take place. The location and characterization of conical intersections are therefore essential to the understanding to a wide range of reactions, such as photo-reactions, explosion and combustion reactions, etc.Conical intersections are ubiquitous in both trivial and non-trivial chemical systems.In a system with n coordinates, degenerate points lie in what is called the intersection space, or seam. The dimensionality of the seam is n-2. For a conical intersection, the remaining two dimensions that lift the energetic degeneracy of the system are known as the branching space.The conical intersections are also called molecular funnels or diabolic points. This comes from the very important role they play in non-radiative de-excitation transitions from excited electronic states to the ground electronic state of molecules. For example, the stability of DNA with respect to the UV irradiation is due to such conical intersection. The molecular wave packet excited to some electronic excited state by the UV photon follows the slope of the potential energy surface and reaches the conical intersection from above. At this point the very large vibronic coupling induces a non-radiative transition (surface-hopping) which leads the molecule back to its electronic ground state.".
- Conical_intersection thumbnail PeakedCI.jpg?width=300.
- Conical_intersection wikiPageExternalLink comp-photochem.
- Conical_intersection wikiPageExternalLink conical.html.
- Conical_intersection wikiPageID "2178942".
- Conical_intersection wikiPageLength "8608".
- Conical_intersection wikiPageOutDegree "39".
- Conical_intersection wikiPageRevisionID "704444611".
- Conical_intersection wikiPageWikiLink Ab_initio_multiple_spawning.
- Conical_intersection wikiPageWikiLink Avoided_crossing.
- Conical_intersection wikiPageWikiLink Bond_hardening.
- Conical_intersection wikiPageWikiLink Bond_softening.
- Conical_intersection wikiPageWikiLink Born–Oppenheimer_approximation.
- Conical_intersection wikiPageWikiLink Category:Quantum_chemistry.
- Conical_intersection wikiPageWikiLink Cone.
- Conical_intersection wikiPageWikiLink DNA.
- Conical_intersection wikiPageWikiLink Degenerate_energy_levels.
- Conical_intersection wikiPageWikiLink Degrees_of_freedom_(physics_and_chemistry).
- Conical_intersection wikiPageWikiLink Diabatic.
- Conical_intersection wikiPageWikiLink Diatomic_molecule.
- Conical_intersection wikiPageWikiLink Excited_state.
- Conical_intersection wikiPageWikiLink Ground_state.
- Conical_intersection wikiPageWikiLink Jahn–Teller_effect.
- Conical_intersection wikiPageWikiLink Molecular_geometry.
- Conical_intersection wikiPageWikiLink Molecular_vibration.
- Conical_intersection wikiPageWikiLink Open_shell.
- Conical_intersection wikiPageWikiLink Orthogonal_complement.
- Conical_intersection wikiPageWikiLink Photon.
- Conical_intersection wikiPageWikiLink Potential_energy_surface.
- Conical_intersection wikiPageWikiLink Quantum_chemistry.
- Conical_intersection wikiPageWikiLink Rotation_(mathematics).
- Conical_intersection wikiPageWikiLink Spin–orbit_interaction.
- Conical_intersection wikiPageWikiLink Surface_hopping.
- Conical_intersection wikiPageWikiLink Ultraviolet.
- Conical_intersection wikiPageWikiLink Vibronic_coupling.
- Conical_intersection wikiPageWikiLink Wave_packet.
- Conical_intersection wikiPageWikiLink File:PeakedCI.jpg.
- Conical_intersection wikiPageWikiLinkText "Conical intersection".
- Conical_intersection wikiPageWikiLinkText "Nonradiative transitions".
- Conical_intersection wikiPageWikiLinkText "conical bands".
- Conical_intersection wikiPageWikiLinkText "conical intersection".
- Conical_intersection wikiPageWikiLinkText "diabolic points".
- Conical_intersection subject Category:Quantum_chemistry.
- Conical_intersection hypernym Set.
- Conical_intersection type Mechanic.
- Conical_intersection comment "In quantum chemistry, a conical intersection of two potential energy surfaces is the set of molecular geometry points where the two potential energy surfaces are degenerate (intersect) and the non-adiabatic couplings between these two states are non-vanishing. In the vicinity of conical intersections, the Born–Oppenheimer approximation breaks down, allowing non-adiabatic processes to take place.".
- Conical_intersection label "Conical intersection".
- Conical_intersection sameAs Q3153596.
- Conical_intersection sameAs Intersección_cónica.
- Conical_intersection sameAs Intersection_conique.
- Conical_intersection sameAs m.06ss3m.
- Conical_intersection sameAs Q3153596.
- Conical_intersection wasDerivedFrom Conical_intersection?oldid=704444611.
- Conical_intersection depiction PeakedCI.jpg.
- Conical_intersection isPrimaryTopicOf Conical_intersection.