论文标题
通过全球优化具有浅量子电路的确切电子状态
Exact electronic states with shallow quantum circuits through global optimisation
论文作者
论文摘要
量子计算机承诺通过克服多电子问题的指数缩放来彻底改变电子模拟。虽然可以使用费米子单位运算符的产物来表示电子波函数，但尚未实现精确状态的浅量子电路。我们通过引入一种算法来构建来自栅极效率，对称性的费米子操作员的通用波函数，该算法在全球范围内优化了离散ANSATZ设计和连续参数空间中的波函数。我们的方法可以最大化近期量子电路可以获得的准确性。高度准确的数值模拟，包括水和分子氮在内的强相关分子以及凝结的哈伯德模型，这表明我们的算法可靠地可靠地进步，定义了一种新的范式，用于具有强质量校正的量子模拟。
Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow quantum circuits for exact states have not yet been achieved. We construct universal wave functions from gate-efficient, symmetry-preserving fermionic operators by introducing an algorithm that globally optimises the wave function in the discrete ansatz design and the continuous parameter spaces. Our approach maximises the accuracy that can be obtained with near-term quantum circuits. Highly accurate numerical simulations on strongly correlated molecules, including water and molecular nitrogen, and the condensed-matter Hubbard model, demonstrate that our algorithm reliably advances the state-of-the-art, defining a new paradigm for quantum simulations featuring strong electron correlation.
