A large \ scriptstyle { v _ { LZ } } results in a large diabatic transition probability and vice versa.
12.
The diabatic transition probability can still be obtained using one of the wide variety of numerical solution algorithms for ordinary differential equations.
13.
Comparison of the initial conditions used with the values of the state amplitudes following the transition can yield the diabatic transition probability.
14.
Diabatic representations constructed with different method can yield different results and the reliability of the result relies on the discretion of the researcher.
15.
Alternatively, one can avoid explicit use of derivative couplings by switch from the adiabatic to the diabatic representation of the potential energy surfaces.
16.
If it is too small, the system can undergo a diabatic transition to the lower branch of the anticrossing and dissociate via bond softening.
17.
The contribution from the change of CSF basis is too expensive to evaluate using numerical method, and is usually ignored by employing an approximate diabatic CSF basis.
18.
When the dissociation is fast and the gap is small, a diabatic transition may occur where the system ends up on the other branch of the anticrossing.
19.
Solutions are also sought to general problems in which diabatic surfaces take on arbitrary shapes, or additional surfaces are introduced to deal with other manifested chemical features.
20.
These can be called "'pseudo-diabatic potentials "', but generally the term is not used unless it is necessary to highlight this subtlety.
