A systematic variational approach to band theory in a quantum computer
Kyle Sherbert, Frank Cerasoli, Marco Buongiorno Nardelli · RSC Advances · 2021
of tight-binding orbitals per unit-cell, similarly to its classical counterparts. Our simulations offer a new insight into the "quantum" mindset and demonstrate how the algorithms under active development today can be optimized in special cases, such as band structure calculations.