Cholesky decomposition of the atomic two-electron integral matrix has recently been proposed as a procedure for automated generation of auxiliary basis sets for the density fitting approximation [F. Aquilante et al., J. Chem. Phys. 127, 114107 (2007)]. In order to increase computational performance while maintaining accuracy, we propose here to reduce the number of primitive Gaussian functions ...

Available research suggests the neurobiological systems reflected in Reinforcement Sensitivity Theory (RST) are important in etiological conceptualizations of psychopathy, however few studies have utilized the revised RST model (r-RST). Moreover, very little research has examined the associations between r-RST systems and the triarchic psychopathic constructs of boldness, meanness, and disinhib...

Many biological models of human motivation and behavior posit a functional division between those subsystems responsible for approach and avoidance behaviors. Gray and McNaughton’s (2000) revised Reinforcement Sensitivity Theory (RST) casts this distinction in terms of a Behavioral Activation System (BAS) and a Fight-Flight-Freeze System (FFFS), mediated by a third, conflict resolution system t...

We present " GEMM-like Tensor-Tensor multiplication " (GETT), a novel approach to tensor contractions that mirrors the design of a high-performance general matrix-matrix multiplication (GEMM). The critical insight behind GETT is the identification of three index sets, involved in the tensor contraction, which enable us to systematically reduce an arbitrary tensor contraction to loops around a h...

When resampling a digital image by uniform cubic B-splines, an output pixel is computed from a filter applied to 16 neighboring pixels of the original image or more precisely of some auxiliary matrix C. Matrix C is computed with a computational time proportional to the number of pixels of the image to be resampled; that time is substantially smaller than the computational time of the filtering ...

Finite-temperature transport properties of one-dimensional systems can be studied using the time dependent density matrix renormalization group via the introduction of auxiliary degrees of freedom which purify the thermal statistical operator. We demonstrate how the numerical effort of such calculations is reduced when the physical time evolution is augmented by an additional time evolution wit...

Two absolute energy minimum principles are developed for first-principle linear-scaling electronic structure calculations. One is with a normalization constraint and the other without any constraint. The density matrix is represented by a set of nonorthogonal localized orbitals and an auxiliary matrix which at the minimum becomes a generalized inverse of the overlap matrix of the localized orbi...

The authors recently proposed a simplex-based Tardos’ algorithm which is strongly polynomial if the coefficient matrix is totally unimodular and the auxiliary problems are non-degenerate. Motivated by the algorithmic practically of such methods, we introduce a modification which circumvents the determination of the largest sub-determinant while keeping the same theoretical performance. Assuming...

Tumor invasion and associated angiogenesis evoke a remodeling of extracellular matrix components. Retroviral vectors bearing auxiliary matrix-targeting motifs (ie., collagen-binding polypeptides) accumulate at sites of newly exposed collagen, thus promoting tumor site-specific gene delivery. In this study, we assessed the antitumor effects of serial portal vein infusions of matrix-targeted vect...

An interaction integral method for evaluating mixed-mode stress intensity factors (SIFs) for two dimensional crack problems using NURBS-based isogeometric analysis method is investigated. The interaction integral method is based on the path independent J-integral. By introducing a known auxiliary field solution, the mixed-mode SIFs are calculated simultaneously. Among features of B-spline basis...