Electronic structure calculations are now indispensible for understanding chemical phenomena. Density functional theory (DFT), which is simple, conceptual, and applicable to large systems, has emerged as a powerful computational tool to tackle molecular electronic structures. DFT efficiently calculates electronic structure with high accuracy, and its algorithm is suitable for parallel computing...

BACKGROUND An increased defibrillation threshold (DFT) may limit the efficacy of an implantable cardioverter-defibrillator (ICD) in termination of life-threatening ventricular arrhythmias. A search for methods of decreasing DFT has been ongoing since the introduction of ICD into clinical practice. AIM To assess the effects of various shock polarities on DFT. METHODS The study group consiste...

Periodic density functional theory (DFT) calculations have recently emerged as a popular tool for assigning solid-state nuclear magnetic resonance (NMR) spectra. However, in order for the calculations to yield accurate results, accurate structural models are also required. In many cases the structural model (often derived from crystallographic diffraction) must be optimised (i.e., to an energy ...

background: medical image interpolation is recently introduced as a helpful tool to obtain further information via initial available images taken by tomography systems. this information may be useful for better diagnosis of possible lesions or better tumor delineation at radiation treatment. to do this, deformable image registration algorithms are mainly utilized to perform image interpolation ...

| Some applications of the Discrete Fourier Transform (DFT) in coding and in cryptography are described. The DFT over general commutative rings is introduced and the condition for its existence given. Blahut's Theorem, which relates the DFT to linear complexity, is shown to hold unchanged in general commutative rings. I. The (Usual) Discrete Fourier Transform Let be a primitive N th root of uni...