Demos.ConicalInter.Linear
Linear E x e Jahn-Teller system: Double cone potentials
In linear approximation, i.e., for vanishing quadratic (and higher) terms (κ ≠ 0, ω=g=0), the two adiabatic potential energy surfaces of the corresponding Jahn-Teller system can be represented by a pair of funnels forming a linear conical intersection. A wavepacket touching the catchment area of the intersection is subject to strong nonadiabatic effects.
Diabatic representation
In a diabatic representation, the two diabatic potential energy surfaces intersect each other with a seam line along R2, while the coupling varies linearly with that coordinate.
| Matlab version | C++ version |
|---|---|
| Animated wavepacket | |
| Input data file | C++ input and the same as Python script |
| Logfile output | Logfile output |
Adiabatic representation
The corresponding adiabatic potential energy surfaces are represented by a pair of linear funnels forming a conical intersection. Note that the circular symmetry is accidental. Inclusion of quadratic terms will reduce it to a 3-fold rotational symmetry.
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