Critical appraisal of the fewest switches algorithm for surface hopping.
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Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics.Laser-induced electron localization in H₂⁺: mixed quantum-classical dynamics based on the exact time-dependent potential energy surface.Nonadiabatic excited-state dynamics of polar pi-systems and related model compounds of biological relevance.The origin of efficient triplet state population in sulfur-substituted nucleobases.Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy.Non-adiabatic dynamics close to conical intersections and the surface hopping perspective.Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism Models.Nonadiabatic photodynamics of a retinal model in polar and nonpolar environmentUV-photoexcitation and ultrafast dynamics of HCFC-132b (CF2 ClCH2 Cl).Modeling ultrafast exciton deactivation in oligothiophenes via nonadiabatic dynamics.Time-resolved insight into the photosensitized generation of singlet oxygen in endoperoxides.Decoherence-induced surface hopping.A spherical electron cloud hopping model for studying product branching ratios of dissociative recombination.Including quantum decoherence in surface hopping.How does the trans-cis photoisomerization of azobenzene take place in organic solvents?On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping.Periodic decay in the photoisomerisation of p-aminoazobenzene.Singlet and triplet excited-state dynamics study of the keto and enol tautomers of cytosine.Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations.Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction.Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X(1)Σ+) → CO2(X̃(1)Σg(+)).The role of tachysterol in vitamin D photosynthesis - a non-adiabatic molecular dynamics study.Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline.Dynamics of acetone photodissociation: a surface hopping study.Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine.Reaction rate theory: summarising remarks.Communication: Global flux surface hopping in Liouville space.Communication: GAIMS--Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes.Stepwise photosensitized thymine dimerization mediated by an exciton intermediate.Acetylacetone photodynamics at a seeded free-electron laser.Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.Insights into the deactivation of 5-bromouracil after ultraviolet excitation.Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis↔Trans Azobenzene Photoisomerization.Photodissociation of FONO: an excited state nonadiabatic dynamics study.The influence of hydrogen bonds on NIAD-4 for use in the optical imaging of amyloid fibrils.Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping.Tailoring the Schiff base photoswitching - a non-adiabatic molecular dynamics study of substituent effect on excited state proton transfer.Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods.
P2860
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P2860
Critical appraisal of the fewest switches algorithm for surface hopping.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh-hant
name
Critical appraisal of the fewest switches algorithm for surface hopping.
@en
Critical appraisal of the fewest switches algorithm for surface hopping.
@nl
type
label
Critical appraisal of the fewest switches algorithm for surface hopping.
@en
Critical appraisal of the fewest switches algorithm for surface hopping.
@nl
prefLabel
Critical appraisal of the fewest switches algorithm for surface hopping.
@en
Critical appraisal of the fewest switches algorithm for surface hopping.
@nl
P2860
P356
P1476
Critical appraisal of the fewest switches algorithm for surface hopping.
@en
P2093
Maurizio Persico
P2860
P304
P356
10.1063/1.2715585
P407
P577
2007-04-01T00:00:00Z