论文标题
朝着量子计算机上的密度功能理论？
Toward Density Functional Theory on Quantum Computers?
论文作者
论文摘要
量子化学和物理学已被确定为量子计算机的杀手级应用，并且已经设计了量子算法来用波函数形式主义求解Schrödinger方程。它仍然限于小型系统，因为它们的尺寸受到可用量子数量的限制。大型系统上的计算主要依赖于诸如密度功能理论之类的平均场类型方法，到目前为止，尚未设想量子优势。在这项工作中，我们通过提出从非相互作用到辅助相互作用的哈密顿量的违反直觉映射来提出的先验质疑。
Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schrödinger equation with the wavefunction formalism. It is yet limited to small systems, as their size is limited by the number of qubits available. Computations on large systems rely mainly on mean-field-type approaches such as density functional theory, for which no quantum advantage has been envisioned so far. In this work, we question this a priori by proposing a counter-intuitive mapping from the non-interacting to an auxiliary interacting Hamiltonian that may provide the desired advantage.
