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- Surface_hopping abstract "Surface hopping is a mixed quantum-classical technique that incorporates quantum mechanical effects into molecular dynamics simulations. Traditional molecular dynamics assume the Born-Oppenheimer approximation, where the lighter electrons adjust instantaneously to the motion of the nuclei. Though the Born-Oppenheimer approximation is applicable to a wide range of problems, there are several applications, such as photoexcited dynamics, electron transfer, and surface chemistry where this approximation falls apart. Surface hopping partially incorporates the non-adiabatic effects by including excited adiabatic surfaces in the calculations, and allowing for 'hops' between these surfaces, subject to certain criteria.".
- Surface_hopping wikiPageExternalLink www.newtonx.org.
- Surface_hopping wikiPageExternalLink mbarbatti.
- Surface_hopping wikiPageID "42095335".
- Surface_hopping wikiPageLength "14611".
- Surface_hopping wikiPageOutDegree "32".
- Surface_hopping wikiPageRevisionID "707690581".
- Surface_hopping wikiPageWikiLink Born–Oppenheimer_approximation.
- Surface_hopping wikiPageWikiLink Bra–ket_notation.
- Surface_hopping wikiPageWikiLink Category:Molecular_dynamics.
- Surface_hopping wikiPageWikiLink Category:Quantum_mechanics.
- Surface_hopping wikiPageWikiLink Computational_chemistry.
- Surface_hopping wikiPageWikiLink Conservation_of_energy.
- Surface_hopping wikiPageWikiLink Degrees_of_freedom_(mechanics).
- Surface_hopping wikiPageWikiLink Eigenvalues_and_eigenvectors.
- Surface_hopping wikiPageWikiLink Electron_excitation.
- Surface_hopping wikiPageWikiLink Equations_of_motion.
- Surface_hopping wikiPageWikiLink Force.
- Surface_hopping wikiPageWikiLink Hamiltonian_(quantum_mechanics).
- Surface_hopping wikiPageWikiLink Hellmann–Feynman_theorem.
- Surface_hopping wikiPageWikiLink Hydrogen.
- Surface_hopping wikiPageWikiLink Integral.
- Surface_hopping wikiPageWikiLink Marcus_theory.
- Surface_hopping wikiPageWikiLink Mass.
- Surface_hopping wikiPageWikiLink Molecular_dynamics.
- Surface_hopping wikiPageWikiLink Path_integral_molecular_dynamics.
- Surface_hopping wikiPageWikiLink Phase_space.
- Surface_hopping wikiPageWikiLink Probability_amplitude.
- Surface_hopping wikiPageWikiLink Quantum_chemistry.
- Surface_hopping wikiPageWikiLink Quantum_fluctuation.
- Surface_hopping wikiPageWikiLink Quantum_mechanics.
- Surface_hopping wikiPageWikiLink Scalar_potential.
- Surface_hopping wikiPageWikiLink Schrödinger_equation.
- Surface_hopping wikiPageWikiLink Statistical_ensemble_(mathematical_physics).
- Surface_hopping wikiPageWikiLink Vibration.
- Surface_hopping wikiPageWikiLink Vibronic_coupling.
- Surface_hopping wikiPageWikiLink Wave_function.
- Surface_hopping wikiPageWikiLinkText "Surface hopping".
- Surface_hopping wikiPageWikiLinkText "surface hopping probability".
- Surface_hopping wikiPageWikiLinkText "surface hopping".
- Surface_hopping wikiPageWikiLinkText "surface-hopping dynamics".
- Surface_hopping wikiPageUsesTemplate Template:Reflist.
- Surface_hopping subject Category:Molecular_dynamics.
- Surface_hopping subject Category:Quantum_mechanics.
- Surface_hopping hypernym Technique.
- Surface_hopping type TopicalConcept.
- Surface_hopping comment "Surface hopping is a mixed quantum-classical technique that incorporates quantum mechanical effects into molecular dynamics simulations. Traditional molecular dynamics assume the Born-Oppenheimer approximation, where the lighter electrons adjust instantaneously to the motion of the nuclei.".
- Surface_hopping label "Surface hopping".
- Surface_hopping sameAs Q17155550.
- Surface_hopping sameAs m.0105mjlm.
- Surface_hopping sameAs Q17155550.
- Surface_hopping wasDerivedFrom Surface_hopping?oldid=707690581.
- Surface_hopping isPrimaryTopicOf Surface_hopping.