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First-derivative coupling matrix adiabatic representation

The matrix S(Q) is called the adiabatic-to-diabatic transformation (ADT) matrix and 9(Q) defines the transformation angle. The required condition for such transformation is the first-order derivative couplings of (7) vanishes in the new representation for all nuclear coordinates [55,56] i.e.. [Pg.283]

See other pages where First-derivative coupling matrix adiabatic representation is mentioned: [Pg.70] [Pg.80] [Pg.70] [Pg.80] [Pg.438] [Pg.468] [Pg.296] [Pg.295] [Pg.295] [Pg.423] [Pg.242] [Pg.192] [Pg.432] [Pg.18] [Pg.405] [Pg.407] [Pg.362]

See also in sourсe #XX -- [ Pg.290 ]

See also in sourсe #XX -- [ Pg.290 , Pg.291 ]

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Adiabatic coupling

Adiabatic representation

Coupled representation

Derivative couplings

First derivative

First-derivative coupling matrix

First-derivative matrix

Representation matrix