WebIn multilinear algebra, a tensor contraction is an operation on a tensor that arises from the natural pairing of a finite-dimensional vector space and its dual. In components, it is … WebDiseases of the blood and blood-forming organs and certain disorders involving the immune mechanism

Open-shell Tensor Hypercontraction

WebThe manipulation of the rank-four tensor of double excitation amplitudes represents a challenge to the efficient implementation of many electronic structure methods. We … Web26 Jul 2024 · The tensor hypercontraction formalism is applied to equation-of-motion second-order approximate coupled cluster singles and doubles (EOM-CC2). The resulting … gla warmer homes london

Tensor hypercontraction. II. Least-squares renormalization

Web11 Dec 2012 · The least-squares tensor hypercontraction (LS-THC) representation for the electron repulsion integral (ERI) tensor is presented. Recently, we developed the generic … Web14 Jul 2014 · In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to … Web11 Apr 2024 · Hybrid density functional theory (DFT) remains intractable for large periodic systems due to the demanding computational cost of exact exchange. We apply the tensor hypercontraction (THC) (or interpolative separable density fitting) approximation to periodic hybrid DFT calculations with Gaussian-type orbitals. This is done to lower the … bodycraft f605