Diabatic templates

Two related methods have been proposed. The first one, due t Levy, is based on the projection of the adiabatic states on the model space spanned by the diabatic templates (I /.. After symmetrical orthogonalization, one obtains the projections from which the effective Hamiltonian is built in the form ... 

These methods " aim at minimizing the variation of the quasi-diabatic states, without making use of diabatic orbitals or diabatic templates. The diabatic states are assumed to concide with the adiabatic ones at some special geometry usually in the asymptotic region for a collisional problem then, they are propagated to other geometries by impos-... 

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