Implement SCTEP - Githubissues

Spin-Chemistry-Labs / radicalpy

An intuitive open-source framework specific to radical pair spin dynamics.

https://radicalpy.readthedocs.io/

MIT License

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Implement SCTEP #139

Closed vatai closed 7 months ago

vatai commented 1 year ago

Check Singlet_fission.ipynb

[ ] new projection op

S1x, S1y, S1z = ry.spinops(0, 2, spin=3)
S2x, S2y, S2z = ry.spinops(1, 2, spin=3)

[ ] new hamiltonian
```
HZFSA = ry.HamiltonianZFS(D, E, 0)
HZFSB = ry.HamiltonianZFS(D, E, 1)
```
Note: ZFS = Zero Field Splitting (more complete dipolar hamiltonian)
[ ] mary has no time evol
[ ] (maybe) new kinteics op (but probably daijoubu)

[ ] New kinetics

Ks = ry.Kinetics(2, ks, model="Haberkorn-RTPsinglet")
Kd = ry.Kinetics(2, kd, model="Haberkorn-RTPfree")

vatai commented 10 months ago

Triplet exciton pair.

HZ, HZFS1, HZFS2, HJ*.

Check where self.radicals is not used (i.e. self.particles).

Think about just implementing HZFS().

Custom molecule "Triplet".