Robert M. Parrish, Edward G. Hohenstein, Nicolas F. Schunck, C. David Sherrill, Todd J. Martinez
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 Tensor HyperContraction (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.
View original:
http://arxiv.org/abs/1301.5064
No comments:
Post a Comment