Implementation strategies for multiband quantum simulators of real materials

Understand

The majority of quantum simulators treat simplified one-band strongly correlated models, whereas multiple bands are needed to describe materials with intermediate correlation.

• We investigate the sensitivity of multiband quantum simulators to: (1) the form of optical lattices (2) the interactions between electron analogues.
• Since the kinetic energy terms of electron analogues in a quantum simulator and electrons in a solid are identical, by examining both periodic potential and interaction we explore the full problem of many-band quantum simulators within the Born-Oppenheimer approximation.
• Density functional calculations show that bandstructure is highly sensitive to the form of optical lattice, and it is necessary to go beyond sinusoidal potentials to ensure that the bands closest to the Fermi surface are similar to those in real materials.