نتایج جستجو برای: dft
تعداد نتایج: 19542 فیلتر نتایج به سال:
We present cedar , a software framework for the implementation and simulation of embodied cognitive models based on Dynamic Field Theory (DFT). DFT is a neurally inspired theoretical framework that integrates perception, action, and cognition. cedar captures the power of DFT in software by facilitating the process of software development for embodied cognitive systems, both artificial and as mo...
abstract: electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward ethyl acetylene (c4h6) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. but when nanotube has been doped with si and al atoms, the adsorption energy ...
using the computational methods, the interaction effect of tyrosine amino acid on graphene wasinvestigated. for this purpose, the density functional theory (dft) in the ground state of 6-31gwas used, and the interaction effects of tyrosine on graphene was investigated through attachmentto three different base positions. different parameters such as energy levels, the amount ofchemical shift in ...
We describe extensions to the siesta density functional theory (dft) code [30], for the simulation of isolated molecules and their absorption spectra. The extensions allow for: • Use of a multigrid solver for the Poisson equation on a finite dft mesh. Non-periodic, Dirichlet boundary conditions are computed by expansion of the electric multipoles over spherical harmonics. • Truncation of a mole...
BACKGROUND The discrete Fourier transform (DFT) is often used as a spectral estimator for analysis of complex fractionated atrial electrograms (CFAE) acquired during atrial fibrillation (AF). However, time resolution can be unsatisfactory, as the frequency resolution is proportional to rate/time interval. In this study we compared the DFT to a new spectral estimator with improved time-frequency...
one of the most common signals used for achieving high range resolution in radar is stepped-frequency signals. when a target is stationary in these radars, dft (discrete fourier transform) based processing is used to attain high range resolution profile (hrrp). however, in the case of moving target, due to spreading of the echo signal spectrum, dft based processing is not optimal and decreases ...
A strategy for filtering (or denoising) of high-pass signals embedded in an impulse (heavy tail) noise environments based on the robust DFT forms has been proposed recently. In this paper we investigate various approaches for design of the robust DFT used in this application. We consider the DFT estimates based on the: linear combination of order statistics (L-estimate), myriad, and Wilcoxon es...
A fast Fourier transform (FFT) is an efficient algorithm to compute the discrete Fourier transform (DFT) of an input vector. Efficient means that the FFT computes the DFT of an n-element vector in O(n logn) operations in contrast to the O(n2) operations required for computing the DFT by definition. FFTs exist for any vector length n and for real and higher-dimensional data. Parallel FFTs have b...
The importance of including spin-orbit interactions for the correct description of structures and vibrational frequencies of haloiodomethanes is demonstrated by density functional theory calculations with spin-orbit relativistic effective core potentials (SO-DFT). The vibrational frequencies and the molecular geometries obtained by SO-DFT calculations do not match with the experimental results ...
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