Predicting molecular vibronic spectra using time-domain analog quantum simulation

Boson sampling for molecular vibronic spectra

Quantum computers are expected to be more efficient in performing certain computations than any classical machine. Unfortunately, the technological challenges associated with building a fullscale quantum computer have not yet allowed the experimental verification of such an expectation. Recently, boson sampling has emerged as a problem that is suspected to be intractable on any classical comput...

Vibronic energies and spectra of molecular dimers.

We consider three distinct methods of calculating the vibronic levels and absorption spectra of molecular dimers coupled by dipole-dipole interactions. The first method is direct diagonalization of the vibronic Hamiltonian in a basis of monomer eigenstates. The second method is to use creation and annihilation operators leading in harmonic approximation to the Jaynes-Cummings Hamiltonian. The a...

Multimode vibronic spectra of the Holstein molecular crystal model.

Vibronic spectra of the Holstein model for molecular crystals are investigated using the dynamical mean field theory with the additional aid of the multi-mode Brownian oscillator model. The effects of temperature, intermolecular transfer integral, damping constant and quadratic coupling on the vibronic spectra are examined, and spectra in the presence of two phonon modes are studied in detail. ...

Simulation of Time - Resolved Vibronic Spectra and the Possibility of Analyzing Molecules with Similar Spectral Properties

Reliability of analog quantum simulation

Analog quantum simulators (AQS) will likely be the first nontrivial application of quantum technology for predictive simulation. However, there remain questions regarding the degree of confidence that can be placed in the results of AQS since they do not naturally incorporate error correction. Specifically, how do we know whether an analog simulation of a quantum model will produce predictions ...