A systematic variational approach to band theory in a quantum computer
Kyle Sherbert, Frank Cerasoli, Marco Buongiorno Nardelli
Abstract
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.
Topics & Concepts
QuantumComputer scienceTheoretical physicsApplied mathematicsTheoretical computer scienceQuantum mechanicsMathematicsPhysicsQuantum Computing Algorithms and ArchitectureQuantum Information and CryptographyQuantum many-body systems