HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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Implement TD-EOM-CC for linear spectroscopy #94

Open haakoek opened 2 years ago

haakoek commented 2 years ago

On the surface it looks like the way our code is setup it should be relatively straightforward, but possibly a bit tedious, to implement the TD-EOM-CC formalism for linear spectroscopy developed by Eugene DePrine and co-workers: https://aip.scitation.org/doi/full/10.1063/1.5125494.

It seems like it is possible to make it even a bit more general by also including the possibility of time-dependent R and L EOM-vectors, allowing for simulations with an explicitly time-dependent electric field.