• Journal of the Korean Chemical Society
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• v.57 no.1
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• pp.20-24
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• 2013

The effect of the DFT methods and basis sets on harmine molecule has been investigated. 26 DFT methods with 6 basis sets were used. Two main comparison chosen DFT methods in this work has been investigated. It is concluded that this contribution is very important and cannot be neglected. In the following analysis, changes in energy levels were investigated by two different methods. Considering a specific basis set, changes in energy levels were obtained using different DFT methods. A specific DFT method is chosen and changes in energy levels have been investigated by means of various basis sets. Effect of the choice of basis sets on geometrical parameters on harmine molecule has also been investigated.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
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• v.17 no.7 s.110
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• pp.638-647
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• 2006

Recently, the DFT-Spread OFDM has been studied for the PAPR reduction. However, the DFT-Spread OFDM produces more ICI and SCI problems than OFDM because phase offset mismatch of the DFT spreading code results from the random phase noise in the oscillator. In this paper, at first, phase noise influence on the DFT-Spread OFDM system is theoretically analyzed in terms of the BER performance. Then, the conventional ICI self-cancellation methods are discussed and two kinds of ICI self-cancellation methods are newly proposed. Lastly, a new DFT-Spread OFDM system which selectively adopts the ICI self-cancellation technique is proposed to resolve the interference problem and PAPR reduction simultaneously. Proposednew DFT-Spread OFDM system can minimize performance degradation caused by phase noise, and still maintain the low PAPR property. Among the studied methods, DFT-Spread OFDM with data-conjugate method or newly proposed symmetric data-conjugate method show the significant performance improvements, compared with the DFT-Spread OFDM without ICI self-cancellation schemes. The data-conjugate method is slightly better than symmetric data-conjugate method.

• Journal of the Institute of Electronics Engineers of Korea SP
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• v.37 no.5
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• pp.9-20
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• 2000

In this paper we compare two frequency domain digital watermarking methods for digital Images, namely DCT(Discrete Cosine Transform) based and DFT(Discrete Fourier Transform) based methods. Unlike DCT coefficients, which always have real values, DFT coefficients normally have complex values Therefore, the DFT coefficients have amplitude and phase components Among them, the phase components are known to carry more Important information for the Images. So, we insert the watermark to the phase of the DFT coefficients only This DFT watermarking method is compared with the conventional DCT based watermarking method for the object-based watermarking problem. Experimental results show that the DFT-phase based method IS more robust to general Image processing attacks including resize, lossy compression(JPEG), blurring and median filtering. On the other hand, the DCT based method is more robust to the malicious attack which inserts different watermarks.

• Journal of the Korean Chemical Society
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• v.63 no.2
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• pp.73-77
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• 2019

We compared methodologies based on the density functional theory (DFT), e.g., time-dependent DFT (TD-DFT), TD-DFT within Tamm-Dancoff approximation (TDA-DFT), and spin-unrestricted DFT (UDFT), that are usually employed to optimize the geometries of ${\pi}$-conjugated molecules in their lowest lying triplet excited ($T_1$) state. As a model system for ${\pi}$-conjugated molecules, we employed 1,2,3,4,5-pentacyano-6-phenyl-benzene. In conjunction with 6-31G(d) basis sets, we made use of gap-tuned range-separated ${\omega}B97X$ functional which is often employed recently in the calculations of molecular excited states. Near the equilibrium geometries, we found that the important difference between the geometries derived at UDFT level and those at TD-DFT or TDA-DFT methods: more stable ground-state energies but higher triplet excitation energies for UDFT derived geometries. In the studies, we discuss such differences in more detail.

• Journal of the Korean Chemical Society
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• v.49 no.1
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• pp.7-15
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• 2005

• Journal of the Institute of Electronics Engineers of Korea TC
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• v.45 no.2
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• pp.97-102
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• 2008

In this paper, we address the OFDM based on DFT or DCT in Cognitive Radio system. An adaptive OFDM based on DFT or DCT in Cognitive Radio system has the capacity to nullify individual carriers to avoid interference to the licensed users. Therefore, there could be a considerably large number of zero-valued inputs/outputs for the IDFT/DFT or IDCT/DCT on the OFDM transceiver. Hence, the standard methods of DFT and DCT are no longer efficient due to the wasted operations on zero. Based on this observation, we present a transform decomposition on two dimensional(2-D) systolic array for IDFT/DFT and IDCT/DCT, this algorithm can achieve an efficient computation for OFDM in Cognitive Radio system

• The Transactions of The Korean Institute of Electrical Engineers
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• v.56 no.4
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• pp.790-794
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• 2007

This paper presents a new index mapping method for DFT (Discrete Fourier Transform) and its application to multidimensional DFT. Unlike conventional index mapping methods such as DIT (Decimation in Time) or DIF (Decimation in Frequency) algorithms, the proposed method is based on two levels of decomposition and it can be very efficiently used for implementing multidimensional DFT as well as 1-dimensional DFT. The proposed pipelined architecture for multidimensional DFT is very flexible so that it can lead to the best tradeoff between performance and hardware requirements. Also, it can be easily extended to higher dimensional DFTs since the number of CEs (Computational Elements) and DCs (Delay Commutators) increase only linearly with the dimension. Various implementation options based on different radices and different pipelining depths will be presented.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.42 no.7
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• pp.610-615
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• 2014

Filterbanks have been widely used in the field of multi-channel signal processing for their simple efficient implementation architectures. Especially, the polyphase DFT(Discrete Fourier Transform) filterbank is the most preferred filterbank for the uniform spaced multi-channel processing due to its simplicity. In frequency hopped communication systems, however, the use of the polyphase DFT filterbank is limited due to its undesirable transient response from hop-to-hop transitions. In this paper, the transient response of polyphase DFT filterbanks in the hop-to-hop transition was analyzed, and the efficient methods to overcome such a problem was proposed. Simulation results showed that the proposed schemes could resolve this issue efficiently.

• Journal of the Korean Chemical Society
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• v.55 no.1
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• pp.7-13
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• 2011

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of concepts of exchange-correlation functionals in computational calculations. For achieving this aim, it is necessary to perform different theoretical methods for many groups of materials. We have performed hybrid density functional theory (DFT) methods to investigate the density charges of atoms in rings and cages of carbon nanotube. DFT methods are engaged and compared their results. We have also been inclined to see the impression of exchange and correlation on nuclearnuclear energy and electron-nuclear energy and kinetic energy. With due attention to existence methods, B3P86, B3PW91, B1B96, BLYP and B3LYP have used in this work.

• Bulletin of the Korean Chemical Society
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• v.30 no.1
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• pp.67-76
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• 2009

The development of a variety of methods like AM1, PM3, PM5 and DFT now allows the calculation of atomic and molecular properties with high precision as well as the treatment of large molecules with predictive power. In this paper, these methods have been used to calculate a number of quantum chemical descriptors (like Klopman atomic softness in terms of $E_n^{\ddag}\;and\;E_m^{\ddag}$, chemical hardness, global softness, electronegativity, chemical potential, electrophilicity index, heat of formation, total energy etc.) for 75 alkanes to predict their boiling point values. The 3D modeling, geometry optimization and semiempirical & DFT calculations of all the alkanes have been made with the help of CAChe software. The calculated quantum chemical descriptors have been correlated with observed boiling point by using multiple linear regression (MLR) analysis. The predicted values of boiling point are very close to the observed values. The values of correlation coefficient ($r^2$) and cross validation coefficient ($r_{cv}^2$) also indicates the generated QSPR models are valuable and the comparison of all the methods indicate that the DFT method is most reliable while the addition of Klopman atomic softness $E_n^{\ddag}$ in DFT method improves the result and provides best correlation.