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Conical intersection singularity

Elements of the matrix —are usually small in the vicinity of a conical intersection and can be added to to give a corrected diabatic energy matrix. As can be seen, whereas in Eq. (15) contains both the singular... [Pg.197]

From Eqs. (30a)-(30c), the singularity in as the conical intersection is approached, is of order 1/p. Only /7, (n= 0, derivative coupling can be used to consfruct a local diabatic representation that removes the singularity [10]. [Pg.463]

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See also in sourсe #XX -- [ Pg.21 ]



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Conical intersection

Conicity

Intersect

Singular

Singularities

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