نتایج جستجو برای: محاسبه های dft

تعداد نتایج: 513852  

2002
Swapan K. Ghosh

We discuss the basic concepts of density functional theory (DFT) as applied to materials modeling in the microscopic, mesoscopic and macroscopic length scales. The picture that emerges is that of a single unified framework for the study of both quantum and classical systems. While for quantum DFT, the central equation is a one-particle Schrodinger-like Kohn-Sham equation, the classical DFT cons...

2003
Rainer Martin Colin Breithaupt

In this paper we consider optimal estimators for speech enhancement in the Discrete Fourier Transform (DFT) domain. We derive an analytical solution for estimating complex DFT coefficients in the MMSE sense when the clean speech DFT coefficients are Laplacian distributed and the DFT coefficients of the noise are Gaussian or Laplacian distributed. We show that these estimators have a number of i...

2007

The symmetry and periodicity properties of the discrete Fourier transform (DFT) allow a variety of useful and interesting decompositions. In particular, by clever grouping and reordering of the complex exponential multiplications it is possible to achieve substantial computational savings while still obtaining the exact DFT solution (no approximation required). Many “fast” algorithms have been ...

1990
John H. Reif Akhilesh Tyagi

The optical computing technology ooers new challenges to the algorithm designers since it can perform an n-point DFT computation in only unit time. Note that DFT is a non-trivial computation in the PRAM model. We develop two new models, DFT-VLSIO and DFT-Circuit, to capture this characteristic of optical computing. We also provide two paradigms for developing parallel algorithms in these models...

2003
Haixia Zhang Dongfeng Yuan Feng Zhao Dalei Wu

The DFT based OFDM (DFT-OFDM) has currently drawn most of attention in the area of wireless communication. But, there is a long way to go to pursue higher bandwidth efficiency. Discrete wavelet transform has been proposed to substitute DFT, due to its higher spectral containment between subchannels, which can eliminate cyclic prefix (CP) that a must in DFT-OFDM system. In this paper, we propose...

Journal: :Physical chemistry chemical physics : PCCP 2010
Łukasz Rajchel Piotr S Żuchowski Michał Hapka Marcin Modrzejewski Małgorzata M Szczęśniak Grzegorz Chałasiński

A recently proposed "DFT + dispersion" treatment (Rajchel et al., Phys. Rev. Lett., 2010, 104, 163001) is described in detail and illustrated by more examples. The formalism derives the dispersion-free density functional theory (DFT) interaction energy and combines it with the dispersion energy from separate DFT calculations. It consists of the self-consistent polarization of DFT monomers restr...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه گیلان - دانشکده علوم پایه 1390

در این تحقیق، محاسبات مقادیر pkb آنیلین و مشتقات آن و برخی از داروها از طریق نرم افزار گوسی 98 انجام گردید. بدین منظور، تأثیر شعاع های اتمی، مدل های حلال پوشی، همبستگی الکترون و چرخه های ترمودینامیکی بر روی مقادیر pkb محاسبه شده بررسی شد. انرژی های فاز گازی در سطوح نظری **hf/6-31g و **b3lyp/6-31g محاسبه گردید. انرژی های آزاد حلال پوشی از طریق مدل پیوستار قطبش پذیر (pcm)، مدل پیوستار قطبش پذیر ر...

Journal: :Circulation. Arrhythmia and electrophysiology 2016
Kevin Phan Hakeem Ha Peter Kabunga Michael J Kilborn Edward Toal Raymond W Sy

BACKGROUND Recent results from the largest multicenter randomized trial (Shockless IMPLant Evaluation [SIMPLE]) on defibrillation threshold (DFT) testing suggest that while shock testing seems safe, it does not reduce the risk of failed shocks or prolong survival. A contemporary systematic review of DFT versus no-DFT testing at the time of implantable cardioverter-defibrillator implantation was...

Journal: :British Dental Journal 2020

Journal: :Kardiologia polska 2011
Paweł Krzesiński Dariusz Michałkiewicz Zbigniew Orski Krystian Krzyżanowski Grzegorz Gielerak

BACKGROUND Identification of individual factors associated with high defibrillation threshold (DFT) seems to be of high clinical importance. Impedance cardiography (ICG) may be used for non-invasive evaluation of the haemodynamic status. Whether ICG parameters may improve identification of patients with high DFT has not yet been examined. AIM To evaluate clinical risk factors of high DFT incl...

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