Polyatomic molecules wave packet dynamics

Classical Dynamics of Nonequilibrium Processes in Fluids Integrating the Classical Equations of Motion Control of Microworld Chemical and Physical Processes Mixed Quantum-Classical Methods Multiphoton Excitation Non-adiabatic Derivative Couplings Photochemistry Rates of Chemical Reactions Reactive Scattering of Polyatomic Molecules Spectroscopy Computational Methods State to State Reactive Scattering Statistical Adiabatic Channel Models Time-dependent Multiconfigurational Hartree Method Trajectory Simulations of Molecular Collisions Classical Treatment Transition State Theory Unimolecular Reaction Dynamics Valence Bond Curve Crossing Models Vibrational Energy Level Calculations Vibronic Dynamics in Polyatomic Molecules Wave Packets. 

Photodissociation Dynamics Rates of Chemical Reactions Reactive Scattering of Polyatomic Molecules Wave Packets. 

Figure 2. A TRPES scheme for disentangling electronic from vibrational dynamics in excited polyatomic molecules. A zeroth-order electronic state a is prepared by a femtosecond pump pulse. Via a nonadiabatic process it converts to a vibrationally hot lower lying electronic state, p. The Koopmans-type ionization correlations suggest that these two states will ionize into different electronic continua a — a+ + e (f. ) and p — p+ + e ( 2)- When the wave packet has zeroth-order a character, any vibrational dynamics in the a state will be reflected in the structure of the Si photoelectron band. After the nonadiabatic process, the wave packet has zeroth-order p electronic character any vibrational dynamics in the state will be reflected in the 82 band. This allows for the simultaneous monitoring of both electronic and vibrational excited-state dynamics.

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