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Gradient extremal path, defined

Starting at a saddle point, a path of steepest descent can be defined on the potential energy surface by using the gradient function 8W/8Qj the path of steepest descent is uniquely determined by extremal values of the gradient unless a stationary point is reached (55). Besides the minima corresponding to the reactant and product asymptotes, a potential energy surface may exhibit some additional minima due to, e.g., van der Waals (59) complexes or intermediates (see later). In such cases, the reactant and product asymptote can be interconnected by several steepest descent paths and the construction... [Pg.260]


See other pages where Gradient extremal path, defined is mentioned: [Pg.131]    [Pg.407]    [Pg.5]    [Pg.2433]    [Pg.230]    [Pg.103]    [Pg.138]    [Pg.141]    [Pg.2432]    [Pg.47]   
See also in sourсe #XX -- [ Pg.407 ]




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