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arXiv:1512.03318 · Physical review. B./Physical review. B

Density matrix renormalization group on a cylinder in mixed real and momentum space

Johannes Motruk, Michael P. Zaletel, Roger S. K. Mong, Frank Pollmann

Published Apr 21, 2016• 73 citations
arXivHTMLPDF

Abstract

We develop a variant of the density matrix renormalization group (DMRG) algorithm for two-dimensional cylinders that uses a real space representation in the direction along the axis of the cylinder and a momentum space representation in the direction around the circumference. The mixed representation allows us to use the momentum around the cylinder as a conserved quantity in the DMRG algorithm. Compared with the traditional purely real-space approach, we find a significant speedup in computation time and a considerable reduction in memory usage. Applying the method to the interacting fermionic Hofstadter model, we demonstrate a reduction in computation time by over 20-fold, in addition to a sixfold memory reduction.

DOI
10.1103/physrevb.93.155139

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We present a numerical implementation of the quantum chemistry density matrix renormalization group (DMRG) using the hybrid discrete variable representation (DVR)/Gaussian basis set. The z -axis of real space is discretized by a DVR basis set and each transversal plane is described by the eigenstates of the transversal core Hamiltonian, represented in a set of primitive Gaussian basis functions. Such a hybrid basis can reduce the computation of two-electron repulsion integrals. One main advantage of using the local DVR basis sets over finite-difference methods for real space discretization is that the kinetic energy operator matrix elements can be computed exactly. This method is first applied to a one-dimensional pseudo-hydrogen chain under screened Coulomb potential and then to a realistic hydrogen chain, whereby the DMRG/DVR results are comparable in accuracy to the full configuration interaction results.