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Quantum light spectroscopy, providing novel molecular informationnon-accessible by classical light, necessitates new computational tools whenapplied for complex molecular systems. We introduce two computational protocolsfor the molecular nuclear wave packet dynamics interacting with an entangledphoton pair to produce the entangled two-photon absorption signal. The firstinvolves summing over transition pathways in a temporal grid defined by twolight-matter interaction times accompanied by the field correlation functionsof quantum light. The signal is obtained by averaging over the two-timedistribution characteristic of the entangled photon state. The other protocolinvolves a Schmidt decomposition of the entangled light and requires summingover the Schmidt modes. We demonstrate how photon entanglement can be used tocontrol and manipulate the two-photon excited nuclear wave packets in adisplaced harmonic oscillator model.

Wavepacket control and simulation protocol for entangled two-photon-absorption of molecules