Root-N Krylov-space correction-vectors for spectral functions with the density matrix renormalization group

Abstract

We propose a method to compute spectral functions of generic Hamiltonians using the density matrix renormalization group (DMRG) algorithm directly in the frequency domain, based on a modified Krylov space decomposition to compute the correction-vectors. Our approach entails the calculation of the root-N (N=2 is the standard square root) of the Hamiltonian propagator using Krylov space decomposition, and repeating this procedure N times to obtain the actual correction-vector. We show that our method greatly alleviates the burden of keeping a large bond dimension at large target frequencies, a problem found with conventional correction-vector DMRG, while achieving better computational performance at large N. We apply our method to spin and charge spectral functions of t-J and Hubbard models in the challenging two-leg ladder geometry, and provide evidence that the root-N approach reaches a much improved resolution compared to conventional correction-vector.

11 pages, 5 figures, Supplementary Material

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• Signature of preformed pairs in angle-resolved photoemission spectroscopy
• Resonant inelastic x-ray scattering spectra of spinon, doublon, and quarton excitations of a spin-$\frac{1}{2}$ antiferromagnetic Heisenberg trimer chain
• Matrix-product-state-based band-Lanczos solver for quantum cluster approaches
• Electron addition spectral functions of low-density polaron liquids