Wednesday, January 23, 2013

1301.5064 (Robert M. Parrish et al.)

Tensor hypercontraction: A universal technique for the resolution of
matrix elements of local, finite-range $N$-body potentials in many-body
quantum problems
   [PDF]

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

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