Dissertation Defense: Christina Daniel

Candidate: Christina Daniel

Major: Physics

Advisor: James Freericks, Ph.D.

Title: Computing the Ground State Energy of a Molecular Model with Many-Body Green’s Functions

The dynamical self-energy mapping algorithm is an approximate algorithm for determining the Green’s function of a molecule, which allows for the molecular energy and other observables to be calculated. The algorithm extracts a sparse model from the molecular Hamiltonian that has a Green’s function with the same low-order spectral moments as the molecule. The sparse model can be solved much more easily than the full molecular model. The dynamical self-energy is extracted and employed within the molecule to determine the molecular Green’s function. In this work, we illustrate how this algorithm can be implemented on a quantum computer and discuss a number of different options for how one can carry out the algorithm concretely.