andyras/propellor
easy-to-use model Hamiltonian propagation for electron transfer
parser for NWChem output, specifically to get geometries from an optimization
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easy-to-use model Hamiltonian propagation for electron transfer
run dynamix code using a genetic algorithm
Public repository.
data and code for "Theory of Ultrafast Photoinduced Electron Transfer from a Bulk Semiconductor to a Quantum Dot"