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Full multiple spawning

M. D. Hack, A. M. Wensmann, D. G. Truhlar, M. Ben-Nun, and T. J. Martinez (2001) Comparison of full multiple spawning, trajectory surface hopping and converged quantum mechanics for electronically nonadiabatic dynamics. J. Chem. Phys. 115, p. 1172... [Pg.589]

The full multiple spawning (FMS) method has been developed as a genuine quantum mechanical method based on semiclassical considerations. The FMS method can be seen as an extension of semiclassical methods that brings back quantum character to the nuclear motion. Indeed, the nuclear wave function is not reduced to a product of delta functions centered on the nuclear positions but retains a minimum uncertainty relationship. The nuclear wave function is expressed as a sum of Born-Oppenheimer states ... [Pg.186]

See other pages where Full multiple spawning is mentioned: [Pg.297]    [Pg.308]    [Pg.445]    [Pg.78]    [Pg.402]    [Pg.413]    [Pg.295]    [Pg.427]    [Pg.458]    [Pg.186]    [Pg.427]    [Pg.413]    [Pg.7]    [Pg.337]   
See also in sourсe #XX -- [ Pg.464 , Pg.465 , Pg.466 ]

See also in sourсe #XX -- [ Pg.105 ]



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Basis sets full multiple spawning

Full multiple spawning electrons

Full multiple spawning, FMS

Spawn

Spawning

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