The full configuration interaction quantum Monte Carlo method in the lens of inexact power iteration
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Publication:6294352
DOI10.1137/18M1166626arXiv1711.09153WikidataQ126419041 ScholiaQ126419041MaRDI QIDQ6294352FDOQ6294352
Authors: Jianfeng Lu, Zhe Wang 
Publication date: 24 November 2017
Abstract: In this paper, we propose a general analysis framework for inexact power iteration, which can be used to efficiently solve high dimensional eigenvalue problems arising from quantum many-body problems. Under the proposed framework, we establish the convergence theorems for several recently proposed randomized algorithms, including the full configuration interaction quantum Monte Carlo (FCIQMC) and the fast randomized iteration (FRI). The analysis is consistent with numerical experiments for physical systems such as Hubbard model and small chemical molecules. We also compare the algorithms both in convergence analysis and numerical results.
Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Computational methods for problems pertaining to quantum theory (81-08)
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