Complexity of commuting Hamiltonians on a square lattice of qubits

We consider the computational complexity of Hamiltonians which are sums of commuting terms acting on plaquettes in a square lattice of qubits, and we show that deciding whether the ground state minimizes the energy of each local term individually is in the complexity class NP. That is, if the ground states has this property, this can be proven using a classical certificate which can be efficiently verified on a classical computer. Different to previous results on commuting Hamiltonians, our certificate proves the existence of such a state without giving instructions on how to prepare it.Comment: 16 pages, 12 figures. v2: Minor corrections. Accepted version, Journal-Ref adde

The computational complexity of density functional theory

Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search for improved functionals has resulted in hundreds of functionals and remains an active research area. This chapter is concerned with understanding fundamental limitations of any algorithmic approach to approximating the universal functional. The results based on Hamiltonian complexity presented here are largely based on \cite{Schuch09}. In this chapter, we explain the computational complexity of DFT and any other approach to solving electronic structure Hamiltonians. The proof relies on perturbative gadgets widely used in Hamiltonian complexity and we provide an introduction to these techniques using the Schrieffer-Wolff method. Since the difficulty of this problem has been well appreciated before this formalization, practitioners have turned to a host approximate Hamiltonians. By extending the results of \cite{Schuch09}, we show in DFT, although the introduction of an approximate potential leads to a non-interacting Hamiltonian, it remains, in the worst case, an NP-complete problem.Comment: Contributed chapter to "Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View

A new construction for a QMA complete 3-local Hamiltonian

We present a new way of encoding a quantum computation into a 3-local Hamiltonian. Our construction is novel in that it does not include any terms that induce legal-illegal clock transitions. Therefore, the weights of the terms in the Hamiltonian do not scale with the size of the problem as in previous constructions. This improves the construction by Kempe and Regev, who were the first to prove that 3-local Hamiltonian is complete for the complexity class QMA, the quantum analogue of NP. Quantum k-SAT, a restricted version of the local Hamiltonian problem using only projector terms, was introduced by Bravyi as an analogue of the classical k-SAT problem. Bravyi proved that quantum 4-SAT is complete for the class QMA with one-sided error (QMA_1) and that quantum 2-SAT is in P. We give an encoding of a quantum circuit into a quantum 4-SAT Hamiltonian using only 3-local terms. As an intermediate step to this 3-local construction, we show that quantum 3-SAT for particles with dimensions 3x2x2 (a qutrit and two qubits) is QMA_1 complete. The complexity of quantum 3-SAT with qubits remains an open question.Comment: 11 pages, 4 figure