Assessment of various Hamiltonian partitionings for the electronic structure problem on a quantum computer using the Trotter approximation

Understand

Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers.

• One of the practical strategies to implement the unitary evolution is via Trotterization, where a sequence of short-time evolutions of fast-forwardable (i.e.
• efficiently diagonalizable) Hamiltonian fragments is used.
• Given multiple choices of possible Hamiltonian decompositions to fast-forwardable fragments, the accuracy of the Hamiltonian evolution depends on the choice of the fragments.