نتایج جستجو برای: محاسبه های dft

تعداد نتایج: 513852  

Journal: :Pediatric dentistry 2008
Felicia Trachtenberg Nancy Nairi Maserejian Mary Tavares Jennifer Ann Soncini Catherine Hayes

PURPOSE The purpose of this study was to assess the relationship between baseline caries experience and the restoration replacement rate in children. METHODS The 5-year New England Children's Amalgam Trial recruited 534 6- to 10-year-old children with 2 or more carious posterior teeth. The association between decoy and longevity of restorations was assessed. Restorations with no follow-up (N ...

Journal: :The Journal of chemical physics 2006
Baojing Zhou Yan Alexander Wang

A new implementation of density functional theory (DFT), namely orbital-corrected orbital-free (OO) DFT, has been developed. With at most two non-self-consistent iterations, OO-DFT accomplishes the accuracy comparable to fully self-consistent Kohn-Sham DFT as demonstrated by its application on the cubic-diamond Si and the face-centered-cubic Ag systems. Our work provides a new impetus to furthe...

2002
Lee Song Rudy Garcia Andrew Levy Donald L. Wheater

For many years, the semiconductor industry has been predicting the emergence of DFT tester market, enabled by increasing number of devices being designed with DFT methodologies such as scan and BIST. The search for low cost DFT tester solutions has resulted in the first ITRS roadmap for a DFT tester in 1999 and a major revision of this roadmap in 2001. While it is generally understood that a DF...

2004
J MICROPROCESSOR CORE Teresa L. McLaurin Frank Frederick Rich Slobodnik

The DFT and Test challenges faced, and the solutions applied, to the ARMl026EJ microprocessor core are described in this paper. New DFT techniques have been created to address the challenges of distributing a DFT core solution that will ultimately end up in many different environments. This core was instantiated into a test chip. The new DFT features were utilized successfully in the SOC.

2017
Ganesh Hegde R. Chris Bowen

Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus ab initio DFT, creating such approximations involves significant manual intervention and is highly inefficient for high-throughput electronic structure screen...

2003
Teresa L. McLaurin Frank Frederick Rich Slobodnik

The DFT and Test challenges faced, and the solutions applied, to the ARM1026EJ microprocessor core are described in this paper. New DFT techniques have been created to address the challenges of distributing a DFT core solution that will ultimately end up in many different environments. This core was instantiated into a test chip. The new DFT features were utilized successfully in the SoC.

Journal: :European Physical Journal-special Topics 2021

We present an extension of reverse engineered Kohn-Sham potentials from a density matrix renormalization group calculation towards the construction functional theory via deep learning. Instead applying machine learning to energy itself, we apply these techniques potentials. To this end develop scheme train neural network represent mapping local densities Finally, use up-scale simulation larger ...

Journal: :EURASIP J. Adv. Sig. Proc. 2013
Quoc-Tuong Ngo Olivier Berder Pascal Scalart

In this article, we investigate the linear precoder based on the maximization of the minimum Euclidean distance between two received data vectors. This new precoding matrix is expressed as the product of a power allocation matrix and an input-shaping matrix. The input-shaping matrix is selected as a normalized discrete Fourier transform-matrix, and the optimal power allocation depends on the ch...

Journal: :The Journal of chemical physics 2005
Baojing Zhou Emily A Carter

Orbital-free density-functional theory (OF-DFT) with modern kinetic-energy density functionals (KEDFs) is a linear scaling technique that accurately describes nearly-free-electron-like (main group) metals. In an attempt towards extending OF-DFT to transition metals, here we consider whether OF-DFT can be used effectively to study Ag, a metal with a localized d shell. OF-DFT has two approximatio...

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