Colbrook Matthew J, Roman Bogdan, Hansen Anders C
Department of Applied Mathematics and Theoretical Physics, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA, United Kingdom.
Phys Rev Lett. 2019 Jun 28;122(25):250201. doi: 10.1103/PhysRevLett.122.250201.
Computing the spectra of operators is a fundamental problem in the sciences, with wide-ranging applications in condensed-matter physics, quantum mechanics and chemistry, statistical mechanics, etc. While there are algorithms that in certain cases converge to the spectrum, no general procedure is known that (a) always converges, (b) provides bounds on the errors of approximation, and (c) provides approximate eigenvectors. This may lead to incorrect simulations. It has been an open problem since the 1950s to decide whether such reliable methods exist at all. We affirmatively resolve this question, and the algorithms provided are optimal, realizing the boundary of what digital computers can achieve. Moreover, they are easy to implement and parallelize, offer fundamental speed-ups, and allow problems that before, regardless of computing power, were out of reach. Results are demonstrated on difficult problems such as the spectra of quasicrystals and non-Hermitian phase transitions in optics.
计算算子的谱是科学中的一个基本问题,在凝聚态物理、量子力学与化学、统计力学等领域有着广泛应用。虽然在某些情况下存在能收敛到谱的算法,但尚无已知的通用程序能满足以下几点:(a)始终收敛;(b)给出近似误差的界;(c)给出近似特征向量。这可能导致不正确的模拟。自20世纪50年代以来,判定是否存在这样可靠的方法一直是个未解决的问题。我们肯定地解决了这个问题,所提供的算法是最优的,达到了数字计算机所能实现的极限。此外,它们易于实现和并行化,能实现显著的加速,并且能解决之前无论计算能力如何都无法解决的问题。在诸如准晶体的谱和光学中的非厄米相变等难题上展示了相关结果。