نتایج جستجو برای: interpolated dft
تعداد نتایج: 23852 فیلتر نتایج به سال:
Music theorists have only recently, following groundbreaking work by Quinn, recognized the potential for the DFT on pcsets, initially proposed by Lewin, to serve as the foundation of a theory of harmony for the twentieth century. This paper investigates pcset “arithmetic” – subset structure, transpositional combination, and interval content – through the lens of the DFT. It discusses relationsh...
The discrete Fourier-cosine transform (cos-DFT), the discrete Fourier-sine transform (sin-DFT) and the discrete cosine transform (DCT) are closely related to the discrete Fourier transform (DFT) of real-valued sequences. This paper describes a general method for constructing fast algorithms for the cos-DFT, the sin-DFT and the DCT, which is based on polynomial arithmetic with Chebyshev polynomi...
The geometrical frustration in the magnetic pyrochlore oxides causes interesting properties at low temperatures in these materials. Therefore, we studied two challenging materials, Er2Ti2O7 and Tb2Ti2O7, using an ab intio method, based on Density Functional Theory (DFT). To take into account the f electrons coulomb interactions correctly, we employed DFT+U, a Hubbard method correction. As spin-...
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 ...
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...
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...
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.
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...
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.
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 ...
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