标题
The exact forces on classical nuclei in non-adiabatic charge transfer
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 142, Issue 8, Pages 084303
出版商
AIP Publishing
发表日期
2015-02-26
DOI
10.1063/1.4908133
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion
- (2014) Ali Abedi et al. EPL
- Classical nuclear motion coupled to electronic non-adiabatic transitions
- (2014) Federica Agostini et al. JOURNAL OF CHEMICAL PHYSICS
- Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics
- (2014) Alexey V. Akimov et al. JOURNAL OF CHEMICAL PHYSICS
- Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?
- (2014) Seung Kyu Min et al. PHYSICAL REVIEW LETTERS
- Exploiting classical decoherence in dissipative quantum dynamics: Memory, phonon emission, and the blip sum
- (2013) Nancy Makri CHEMICAL PHYSICS LETTERS
- Response to “Comment on ‘Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction”' [J. Chem. Phys. 139, 087101 (2013)]
- (2013) Ali Abedi et al. JOURNAL OF CHEMICAL PHYSICS
- Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction” [J. Chem. Phys. 137, 22A530 (2012)]
- (2013) J. L. Alonso et al. JOURNAL OF CHEMICAL PHYSICS
- Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
- (2013) Joseph E. Subotnik et al. JOURNAL OF CHEMICAL PHYSICS
- On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping
- (2013) Basile F. E. Curchod et al. JOURNAL OF CHEMICAL PHYSICS
- Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations
- (2013) Stephen J. Cotton et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processes
- (2013) Federica Agostini et al. MOLECULAR PHYSICS
- Ab initio–driven trajectory-based nuclear quantum dynamics in phase space
- (2013) Ivano Tavernelli PHYSICAL REVIEW A
- Dynamical Steps that Bridge Piecewise Adiabatic Shapes in the Exact Time-Dependent Potential Energy Surface
- (2013) Ali Abedi et al. PHYSICAL REVIEW LETTERS
- Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system
- (2013) Carlo Andrea Rozzi et al. Nature Communications
- Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation
- (2012) Tomáš Zimmermann et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic quantum Liouville and master equations in the adiabatic basis
- (2012) Seogjoo Jang JOURNAL OF CHEMICAL PHYSICS
- Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation
- (2012) Noa Zamstein et al. JOURNAL OF CHEMICAL PHYSICS
- Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation
- (2012) Pengfei Huo et al. JOURNAL OF CHEMICAL PHYSICS
- Decoherence-induced surface hopping
- (2012) Heather M. Jaeger et al. JOURNAL OF CHEMICAL PHYSICS
- Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
- (2012) Ali Abedi et al. JOURNAL OF CHEMICAL PHYSICS
- QM/MM Trajectory Surface Hopping Approach to Photoisomerization of Rhodopsin and Isorhodopsin: The Origin of Faster and More Efficient Isomerization for Rhodopsin
- (2012) Wilfredo Credo Chung et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Hot charge-transfer excitons set the time limit for charge separation at donor/acceptor interfaces in organic photovoltaics
- (2012) Askat E. Jailaubekov et al. NATURE MATERIALS
- Some like it hot
- (2012) Carlos Silva NATURE MATERIALS
- Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. I. Theory
- (2011) David Bousquet et al. JOURNAL OF CHEMICAL PHYSICS
- Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics
- (2011) Neil Shenvi et al. JOURNAL OF CHEMICAL PHYSICS
- Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulations
- (2011) Enrico Tapavicza et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations
- (2011) Basile F. E. Curchod et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Conical intersection dynamics of the primary photoisomerization event in vision
- (2010) Dario Polli et al. NATURE
- Path integrals for nonadiabatically coupled electrons and nuclei in molecules: Force analysis for branching nuclear paths and conservation laws
- (2010) Kota Hanasaki et al. PHYSICAL REVIEW A
- Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function
- (2010) Ali Abedi et al. PHYSICAL REVIEW LETTERS
- Photochemical Reaction Dynamics of the Primary Event of Vision Studied by Means of a Hybrid Molecular Simulation
- (2009) Shigehiko Hayashi et al. BIOPHYSICAL JOURNAL
- Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods
- (2009) William H. Miller JOURNAL OF PHYSICAL CHEMISTRY A
- Surface-hopping dynamics and decoherence with quantum equilibrium structure
- (2008) Robbie Grunwald et al. JOURNAL OF CHEMICAL PHYSICS
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