A leap in computational chemistry and physics, Quantum Enhanced Density Functional Theory (QEDFT), merges quantum computing with Density Functional Theory (DFT) to surpass the limitations of classical algorithms. Enhancing density functional theory using the variational quantum eigensolver introduces QEDFT, leveraging quantum data to approximate the universal functional more accurately.

• Employs variational quantum eigensolver (VQE) algorithm on quantum hardware
• Outperforms Hartree-Fock DFT and direct VQE application in accuracy
• Functions under noisy, low-depth quantum computing scenarios
• Captures complex physical properties, like Mott physics, for larger systems

The key to QEDFT’s success is its ability to maintain high-quality results even with limited quantum resources—a significant stride toward practical quantum applications. This methodology opens doors to studying materials and molecules with unprecedented precision and could lead to major scientific discoveries and technological innovations.