Due to the high penetration of renewable energy sources, such as photovoltaic panels and wind turbines, in addition use different electric power supplies grid, there are major disturbances forms waves. These variations must be monitored controlled for efficient management transmission distribution electrical energy, safety, protection systems. Nowadays, Phasor Measurement Unit (PMU) technology ...

The equations for the response terms for the fragment molecular orbital (FMO) method interfaced with the density functional theory (DFT) gradient are derived and implemented. Compared to the previous FMO-DFT gradient, which lacks response terms, the FMO-DFT analytic gradient has improved accuracy for a variety of functionals, when compared to numerical gradients. The FMO-DFT gradient agrees wit...

Computing the discrete Fourier transform is one of the most important in applied computer science, with applications in fields as diverse as seismology, signal analysis, and various branches of engineering. A great many algorithms exist for quickly computing different variations of the transform – fast Fourier transforms, or FFTs. Because of their practical importance, even small improvements t...

We propose an efficient scheme that combines density functional theory (DFT) with deep potentials (DPs), to systematically study convergence issues in the computation of electronic thermal conductivity warm dense aluminum (2.7 g/cm3 and temperatures ranging from 0.5 eV 5.0 eV) respect number k-points, atoms, broadening parameter, exchange-correlation functionals, pseudopotentials. Furthermore, ...

Using density functional theory calculations and ab initio atomistic thermodynamics, H2O adsorption and dissociation on the Fe(110) p(4 × 4) surface at different coverages have been computed. At the lowest coverage, the adsorbed H2O, OH, O and H species can migrate easily on the surface. For (H2O)n adsorption, H2O molecules donating H atoms for H-bonding adsorb more strongly than those acceptin...

In this article, we present a consistent derivation of a density functional theory (DFT) based embedding method which encompasses wave-function theory-in-DFT (WFT-in-DFT) and the DFT-based subsystem formulation of response theory (DFT-in-DFT) by Neugebauer [J. Neugebauer, J. Chem. Phys. 131, 084104 (2009)] as special cases. This formulation, which is based on the time-averaged quasi-energy form...

BACKGROUND Although high defibrillation threshold (DFT) is a major and unavoidable clinical problem after implantation of an implantable cardioverter defibrillator (ICD), little is known about the cause and management of a high DFT in patients with hypertrophic cardiomyopathy (HCM). The purpose of this study was to assess the predictors of a high DFT in patients with HCM. METHODS AND RESULTS ...

BACKGROUND Defibrillation threshold (DFT) testing at the time of implantable cardioverter defibrillator (ICD) insertion is performed routinely. This practice is being reconsidered due to doubts about its ability to improve ICD efficacy and evidence that survival may not be affected by the test. OBJECTIVES To compare the outcome of ICD recipients who underwent DFT testing and those who did not...

This paper proposes a System-on-a-Chip (SoC) test strategy based on a non-scan DFT method. Especially, we evaluate a basic DFT method, called NS-DFT, comparing with a full scan DFT method. The experimental results for practical circuits and benchmark circuits demonstrate the efficiency of the NS-DFT.

BACKGROUND Inability to perform defibrillation threshold (DFT) testing during implantable cardioverter defibrillator (ICD) implantation due to co-morbidities may influence long-term survival. METHODS Retrospective review at The University of Michigan (1999-2004) identified 55 patients undergoing ICD implantation without DFT testing ("No-DFT group"). A randomly selected sample of patients (n =...