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Line integral techniques intersections

An alternative method that can be used to characterize the topology of PES is the line integral technique developed by Baer [53,54], which uses properties of the non-adiabatic coupling between states to identify and locate different types of intersections. The method has been applied to study the complex PES topologies in a number of small molecules such as H3 [55,56] and C2H [57]. [Pg.254]

Corresponding experimental values of [Mi], [Ma], straight line in the ri a plane and the intersection region of such lines from different feed composition experiments is assumed to give the best values of ri and ri- The same basic technique may be applied to the integrated form of the copolymer equation. The intersection point which corresponds to the best values of f and ri is selected imprecisely and subjectively by this technique. Each experiment yields a straight line, and each such line can intersect one line from every other experiment. Thus n experiments yield (n(n — l)/2 intersections and even one wild experiment produces ( — I) unreliable intersections. Various attempts to eliminate subjectivity and reject dubious data on a rational basis have not been successful. [Pg.254]


See other pages where Line integral techniques intersections is mentioned: [Pg.608]    [Pg.716]    [Pg.716]    [Pg.227]    [Pg.90]    [Pg.283]    [Pg.798]   
See also in sourсe #XX -- [ Pg.111 ]




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