The aurophilic interaction is examined in three model systems Au2((3)Σg(+)), (AuH)2, and (HAuPH3)2 which contain interactions of pairs of the Au centers in the oxidation state (I). Several methods are employed ranging from wave function theory-based (WFT) approaches to symmetry-adapted perturbation theory (SAPT) and range-separated hybrid (RSH) density functional theory (DFT) methods. The most ...

In this paper, we propose a novel scheme for reduction of the peak-to-average power ratio (PAPR) of Orthogonal Frequency Division Multiplexing (OFDM) transmitted signal by using Discrete Fourier Transform (DFT) as the preprocessing between data mapper and adding of pilot. The preprocessing is designed to decrease the correlation of original QAM constellation Simulation results show that PAPR ca...

This work discusses the characteristics of a multicore processor to perform DMT/OFDM modulation, while eventually executing other concurrent tasks. The DMT modulation is of special interest because it has been adopted in several communication systems. As a case study, the TMS320C6670 is adopted, which has a (I)FFT coprocessor. The use of these coprocessors can be essential to make a DMT/OFDM fe...

Recent successes and failures of the application of 'enhanced' semiempirical QM (SQM) methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) and hydrogen-bond (H) correction terms. We find that the accuracy of SQM-DH methods for non-covalent interactions is very often reported to be comparable to dispersion-corrected density functional theory (DFT-D), while com...

We propose a design procedure for the real, equal-norm, lapped tight frame transforms (LTFTs). These transforms have been recently proposed as both a redundant counterpart to lapped orthogonal transforms and an infinite-dimensional counterpart to harmonic tight frames. In addition, LTFTs can be efficiently implemented with filter banks. The procedure consists of two steps. First, we construct n...

We introduce a new discrete fractional Fourier transform (DFrFT) based on only the DFT matrix and its powers. Eigenvectors of the DFT matrix are obtained in a simple-yetelegant and straightforward manner. We show that this DFrFT definition based on the eigentransforms of the DFT matrix mimics the properties of continuous fractional Fourier transform (FrFT) by approximating the samples of the co...

A fundamental result of free probability theory due to Voiculescu and subsequently refined by many authors states that conjugation by independent Haar-distributed random unitary matrices delivers asymptotic freeness. In this paper we exhibit many other systems of random unitary matrices that, when used for conjugation, lead to freeness. We do so by first proving a general result asserting “asym...

A general framework is presented for recursive computation of image local statistics in sliding window of almost arbitrary shape with “per-pixel” computational complexity substantially lower than the window size. As special cases, recursive algorithms are described for computing image local statistics such as local mean, local variance, local kurtosis, local order statistics (minimum, maximum, ...