How to Compute Spectra with Error Control

被引:55
作者
Colbrook, Matthew J. [1 ]
Roman, Bogdan [1 ]
Hansen, Anders C. [1 ]
机构
[1] Univ Cambridge, Dept Appl Math & Theoret Phys, Wilberforce Rd, Cambridge CB3 0WA, England
基金
英国工程与自然科学研究理事会;
关键词
PENROSE TILING LATTICE; PARITY-TIME SYMMETRY; ELECTRONIC-PROPERTIES; SCHRODINGER-EQUATION; PERIODIC TILINGS; DIRAC FERMIONS; APPROXIMATIONS; LOCALIZATION;
D O I
10.1103/PhysRevLett.122.250201
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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 arc demonstrated on difficult problems such as the spectra of quasicrystals and non-Hermitian phase transitions in optics.
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页数:6
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