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Direct molecular dynamics vibronic effects

Nuclear motion Schrodinger equation direct molecular dynamics, 363-373 vibronic coupling, adiabatic effects, 382-384 electronic states ... [Pg.90]

To demonstrate the basic ideas of molecular dynamics calculations, we shall first examine its application to adiabatic systems. The theory of vibronic coupling and non-adiabatic effects will then be discussed to define the sorts of processes in which we are interested. The complications added to dynamics calculations by these effects will then be considered. Some details of the mathematical formalism are included in appendices. Finally, examples will be given of direct dynamics studies that show how well the systems of interest can at present be treated. [Pg.256]


See other pages where Direct molecular dynamics vibronic effects is mentioned: [Pg.103]    [Pg.370]    [Pg.24]    [Pg.76]   
See also in sourсe #XX -- [ Pg.381 , Pg.382 , Pg.383 , Pg.384 , Pg.385 , Pg.386 , Pg.387 , Pg.388 , Pg.389 , Pg.390 , Pg.391 , Pg.392 ]

See also in sourсe #XX -- [ Pg.381 , Pg.382 , Pg.383 , Pg.384 , Pg.385 , Pg.386 , Pg.387 , Pg.388 , Pg.389 , Pg.390 , Pg.391 , Pg.392 ]




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Direct dynamics

Direct effects

Direct molecular dynamics

Direct molecular dynamics vibronic coupling, adiabatic effects

Directing effect

Directional effect

Directive effects

Dynamical effects

Dynamics effect

Vibron

Vibronics

Vibrons

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