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- Diabatic abstract "In quantum chemistry, the potential energy surfaces are obtained within the adiabatic or Born–Oppenheimer approximation. This corresponds to a representation of the molecular wave function where the variables corresponding to the molecular geometry and the electronic degrees of freedom are separated. The non separable terms are due to the nuclear kinetic energy terms in the molecular Hamiltonian and are said to couple the potential energy surfaces. In the neighbourhood of an avoided crossing or conical intersection, these terms cannot be neglected. One therefore usually performs one unitary transformation from the adiabatic representation to the so-called diabatic representation in which the nuclear kinetic energy operator is diagonal. In this representation, the coupling is due to the electronic energy and is a scalar quantity which is significantly easier to estimate numerically.In the diabatic representation, the potential energy surfaces are smoother, so that low order Taylor series expansions of the surface capture much of the complexity of the original system. However strictly diabatic states do not exist in the general case. Hence, diabatic potentials generated from transforming multiple electronic energy surfaces together are generally not exact. These can be called pseudo-diabatic potentials, but generally the term is not used unless it is necessary to highlight this subtlety. Hence, pseudo-diabatic potentials are synonymous with diabatic potentials.".
- Diabatic wikiPageID "2178880".
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- Diabatic wikiPageRevisionID "703112194".
- Diabatic wikiPageWikiLink Abelian_group.
- Diabatic wikiPageWikiLink Adiabatic_process.
- Diabatic wikiPageWikiLink Adiabatic_theorem.
- Diabatic wikiPageWikiLink Analytic.
- Diabatic wikiPageWikiLink Atomic_units.
- Diabatic wikiPageWikiLink Avoided_crossing.
- Diabatic wikiPageWikiLink Born–Oppenheimer_approximation.
- Diabatic wikiPageWikiLink Category:Quantum_chemistry.
- Diabatic wikiPageWikiLink Category:Quantum_mechanics.
- Diabatic wikiPageWikiLink Conical_intersection.
- Diabatic wikiPageWikiLink Conservative_vector_field.
- Diabatic wikiPageWikiLink Curl_(mathematics).
- Diabatic wikiPageWikiLink Degrees_of_freedom_(physics_and_chemistry).
- Diabatic wikiPageWikiLink Diagonal_matrix.
- Diabatic wikiPageWikiLink Dot_product.
- Diabatic wikiPageWikiLink Euler_matrices..
- Diabatic wikiPageWikiLink General_Leibniz_rule.
- Diabatic wikiPageWikiLink Geometric_phase.
- Diabatic wikiPageWikiLink Ic_molecular_Hamiltonian.
- Diabatic wikiPageWikiLink Molecular_Hamiltonian.
- Diabatic wikiPageWikiLink Molecular_geometry.
- Diabatic wikiPageWikiLink NACT.
- Diabatic wikiPageWikiLink Non-abelian_group.
- Diabatic wikiPageWikiLink Nonadiabatic_system.
- Diabatic wikiPageWikiLink Ordering_operator.
- Diabatic wikiPageWikiLink Potential_energy_surface.
- Diabatic wikiPageWikiLink Quantum_chemistry.
- Diabatic wikiPageWikiLink Separation_of_variables.
- Diabatic wikiPageWikiLink Taylor_series.
- Diabatic wikiPageWikiLink Tensor_field.
- Diabatic wikiPageWikiLink Thermodynamics.
- Diabatic wikiPageWikiLink Unitary_transformation.
- Diabatic wikiPageWikiLink Vibronic_coupling.
- Diabatic wikiPageWikiLink Wave_function.
- Diabatic wikiPageWikiLinkText "Diabatic".
- Diabatic wikiPageWikiLinkText "diabatic".
- Diabatic wikiPageUsesTemplate Template:Confusing.
- Diabatic wikiPageUsesTemplate Template:Dn.
- Diabatic wikiPageUsesTemplate Template:Hatnote.
- Diabatic wikiPageUsesTemplate Template:Multiple_issues.
- Diabatic wikiPageUsesTemplate Template:Tone.
- Diabatic subject Category:Quantum_chemistry.
- Diabatic subject Category:Quantum_mechanics.
- Diabatic type Mechanic.
- Diabatic type Physic.
- Diabatic comment "In quantum chemistry, the potential energy surfaces are obtained within the adiabatic or Born–Oppenheimer approximation. This corresponds to a representation of the molecular wave function where the variables corresponding to the molecular geometry and the electronic degrees of freedom are separated. The non separable terms are due to the nuclear kinetic energy terms in the molecular Hamiltonian and are said to couple the potential energy surfaces.".
- Diabatic label "Diabatic".
- Diabatic sameAs Q1207934.
- Diabatic sameAs Diabatische_Zustandsänderung.
- Diabatic sameAs Diabático.
- Diabatic sameAs m.06sr_1.
- Diabatic sameAs Q1207934.
- Diabatic wasDerivedFrom Diabatic?oldid=703112194.
- Diabatic isPrimaryTopicOf Diabatic.