نتایج جستجو برای: مطالعه dft
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1. Page 2741, caption of Fig. 2: three occurrences of ‘‘commutator’’ instead of ‘‘commutor’’, i.e. the caption should read Fig. 2. Eigenvalue decomposition of the commutor for the CDFT: (a) sorted eigenvalues of the commutor T1 for N 1⁄4 128. (b) Selected symmetric and skew-symmetric eigenvectors of the commutor for k 1⁄4 0,1, 2, 3. 2. Page 2743, fourth sentence after Eq. (14): ‘‘commutator’’ i...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward c2h5oh molecules by using density functional theory (dft) calculations . it was founding that the adsorption energy(ead) of ethanol on the pristine nanotubes is about -51.5 kj / mol, but when the nanotube has been doped with si and al atoms , the adsorption and recovery time changed and the sensitivity of nano...
Among various models that incorporate solvation effects into first-principles-based electronic structure theory such as density functional theory (DFT), the average solvent electrostatic potential/molecular dynamics (ASEP/MD) method is particularly advantageous. This method explicitly includes the nature of complicated solvent structures that is absent in implicit solvation methods. Because the...
A method is presented for computing an orthonormal set of eigenvectors for the discrete Fourier transform (DFT). The technique is based on a detailed analysis of the eigenstructure of a special matrix which commutes with the DFT. It is also shown how fractional powers of the DFT can be efficiently computed, and possible applications to multiplexing and transform coding are suggested. T
The eigenstructure of the discrete Fourier transform (DFT) is examined and new systematic procedures to generate eigenvectors of the unitary DFT are proposed. DFT eigenvectors are suggested as user signatures for data communication over the real adder channel (RAC). The proposed multiuser communication system over the 2-user RAC is detailed.
تحلیل وضعیت ترافیکی و پیشنهاد روشهای مدیریت جریان ترافیک نقش اساسی در ارزیابی عملکرد بسیاری از سیستمهای حملونقلی ایفا میکند. بین جمعآوری دادههای ترافیکی، رویکردهای مبتنیبر فنّاوریهای نوین که امکان گردآوری حجم پویای زمانیـ مکانی را فراهم میآورند استخراج روندها الگوها تسهیل میکنند اهمیت دارند. این پژوهش، تهران بهمنزلة پایتخت ایران، با ویژگیهای اقتصادی اجتماعی خاصی دارد تنوع سفرها به ...
Introduction It has previously been reported that patients with an implantable cardioverter-defibrillator (ICD) may have a slightly higher defibrillation threshold (DFT) in an upright position compared to a supine position. However, the significance of this and the potential impact on clinical practice remains unclear. We report a case of defibrillation failure caused by an increase in DFT in t...
Recently, discrete Fourier transform (DFT)-based discrete multitone modulation (DMT) systems have been widely applied to various applications. In this paper, we study a broader class of DMT systems using more general unitary matrices instead of DFT matrices. For this class, we will show how to design the optimal DMT systems over frequency-selective channels with colored noise. In addition, asym...
We review density functional theory (DFT) within the Kohn-Sham (KS) and the generalized KS (GKS) frameworks from a theoretical perspective for both time-independent and time-dependent problems. We focus on the use of range-separated hybrids within a GKS approach as a practical remedy for dealing with the deleterious long-range self-repulsion plaguing many approximate implementations of DFT. Thi...
We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using orbital-based functionals, which generalize the conventional local-density-plus-gradients form. The orbitals satisfy single-particle equations with multiplicati...
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