Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Curve crossing model reactive collisions

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. [Pg.2078]

Spiegelmann and Malrieu have proposed improved versions of this procedure,where the model space is spanned by several multi-configurational zeroth-order descriptions of the various diabatic eigenfunctions. This proposal, which fits very well the architecture of the CIPSI algorithm, has received applications on Arf excited states, NaCl curve crossing, HeNe and the Cs (7p) -i- HjfX Sg ) CsH(X Zg ) + H reactive collision. ... [Pg.351]


See other pages where Curve crossing model reactive collisions is mentioned: [Pg.29]    [Pg.167]    [Pg.555]    [Pg.255]    [Pg.168]    [Pg.356]    [Pg.251]   
See also in sourсe #XX -- [ Pg.162 ]




SEARCH



Cross collision

Cross model

Cross reactivity

Curve crossing

Curve crossing model

Curve model

Modelling reactivity

Reactive collision

© 2024 chempedia.info