Three new variants of the auxiliary-density-matrix method (ADMM) of Guidon, Hutter, and VandeVondele [J. Chem. Theory Comput. 6, 2348 (2010)] are presented with the common feature that they have a simplified constraint compared with the full orthonormality requirement of the earlier ADMM1 method. All ADMM variants are tested for accuracy and performance in all-electron B3LYP calculations with s...

In this work, we propose an alternating low-rank decomposition (ALRD) approach and novel subspace algorithms for directionof-arrival (DOA) estimation. In the ALRD scheme, the decomposition matrix for rank reduction is composed of a set of basis vectors. A low-rank auxiliary parameter vector is then employed to compute the output power spectrum. Alternating optimization strategies based on recur...

Mutations in cardiac ion channels and their auxiliary subunits can lead to life-threatening cardiac arrhythmias. In recent years it has become apparent that ion channels are part of large, multi-protein complexes, comprising not only the ion channels and their auxiliary subunits, but also components of the cytoskeleton, regulatory kinases and phosphatases, trafficking proteins, extracellular ma...

A three-dimensional reduction of the two-particle Bethe-Salpeter equation is proposed. The proposed reduction is in the framework of light-front dynamics. It yields auxiliary quantities for the transition matrix and the bound state. The arising effective interaction can be perturbatively expanded according to the number of particles exchanged at a given light-front time. An example suggests tha...

We developed a novel approach to identification and model testing in linear structural equation models (SEMs) based on auxiliary variables (AVs), which generalizes a widely-used family of methods known as instrumental variables. The identification problem is concerned with the conditions under which causal parameters can be uniquely estimated from an observational, non-causal covariance matrix....

This paper deals with a multi-class priority queueing system with customer transfers that occur only from lower priority queues to higher priority queues. Conditions for the queueing system to be stable/unstable are obtained. An auxiliary queueing system is introduced, for which an explicit product-form solution is found for the stationary distribution of queue lengths. Sample path relationship...

The reduction of the two-fermion Bethe-Salpeter equation in the framework of light-front dynamics is studied for the Yukawa model. It yields auxiliary three-dimensional quantities for the transition matrix and the bound state. The arising effective interaction can be perturbatively expanded in powers of the coupling constant gs allowing a defined number of boson exchanges; it is divergent and n...

Feasibility of using Cyanex 301, as the auxiliary agent, for supercritical extraction of Cupper and Manganese cations from solid matrix was studied statistically. The amount of extraction is influenced by several parameters, such as amount of ligand, pressure, temperature, SCCO2 flow rate, time of extraction and amount of acid. Recent researches showed that factorial design is an effective tool...