Tensor hypercontraction: A universal technique for the resolution of matrix elements of local, finite-range $N$-body potentials in many-body quantum problems
Abstract
Configuration-space matrix elements of N-body potentials arise naturally and ubiquitously in the Ritz-Galerkin solution of many-body quantum problems. For the common specialization of local, finite-range potentials, we develop the eXact Tensor HyperContraction (X-THC) method, which provides a quantized renormalization of the coordinate-space form of the N-body potential, allowing for a highly separable tensor factorization of the configuration-space matrix elements. This representation allows for substantial computational savings in chemical, atomic, and nuclear physics simulations, particularly with respect to difficult "exchange-like" contractions.
Keywords
Cite
@article{arxiv.1301.5064,
title = {Tensor hypercontraction: A universal technique for the resolution of matrix elements of local, finite-range $N$-body potentials in many-body quantum problems},
author = {Robert M. Parrish and Edward G. Hohenstein and Nicolas F. Schunck and C. David Sherrill and Todd J. Martinez},
journal= {arXiv preprint arXiv:1301.5064},
year = {2015}
}
Comments
Third version of the manuscript after referee's comments. In press in PRL. Main text: 4 pages, 2 figures, 1 table; Supplemental material (also included): 14 pages, 2 figures, 2 tables