Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
about
Laser-induced electron localization in H₂⁺: mixed quantum-classical dynamics based on the exact time-dependent potential energy surface.Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems.Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle.Partial hydrodynamic representation of quantum molecular dynamics.Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective.Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping.Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.The best of both Reps-Diabatized Gaussians on adiabatic surfaces.Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor system.Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function.Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.The adiabatic limit of the exact factorization of the electron-nuclear wave function.Exact Potential Driving the Electron Dynamics in Enhanced Ionization of H(2)(+).Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes.Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?Classical nuclear motion coupled to electronic non-adiabatic transitions.The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction.An exact factorization perspective on quantum interferences in nonadiabatic dynamics.Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction” [J. Chem. Phys. 137, 22A530 (2012)]Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer pictureSurface hopping in laser-driven molecular dynamicsMolecular geometric phase from the exact electron-nuclear factorizationSemiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processesThe exact forces on classical nuclei in non-adiabatic charge transferElectronic Schrödinger equation with nonclassical nucleiDynamical Steps that Bridge Piecewise Adiabatic Shapes in the Exact Time-Dependent Potential Energy SurfaceMixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processesResponse to “Comment on ‘Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction”' [J. Chem. Phys. 139, 087101 (2013)]
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P2860
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
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2012 nî lūn-bûn
@nan
2012 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2012年の論文
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2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
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name
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@ast
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@en
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@nl
type
label
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@ast
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@en
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@nl
prefLabel
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@ast
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@en
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction.
@nl
P2860
P356
P1476
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction
@en
P2093
Neepa T Maitra
P2860
P304
P356
10.1063/1.4745836
P407
P577
2012-12-01T00:00:00Z