This paper proposes a System-on-a-Chip (SoC) test strategy based on a non-scan DFT method. Especially, we evaluate a basic DFT method, called NS-DFT, comparing with a full scan DFT method. The experimental results for practical circuits and benchmark circuits demonstrate the efficiency of the NS-DFT.

The equations for the response terms for the fragment molecular orbital (FMO) method interfaced with the density functional theory (DFT) gradient are derived and implemented. Compared to the previous FMO-DFT gradient, which lacks response terms, the FMO-DFT analytic gradient has improved accuracy for a variety of functionals, when compared to numerical gradients. The FMO-DFT gradient agrees wit...

abstract the structural and electrostatic properties of the single-walled two representative (8, 0) zigzag and (4, 4) armchair models of pristine and gaas-doped on boron phosphide nanotubes (bpnts) was investigated by calculating the nuclear magnetic resonance tensors and with performing the density function theory. the geometrical structures of all representative pristine and gaas-doped models...

There are three different way to calculate DFT. First method is using formula of DFT or simultaneous equation. Second is Correlation technique and third one is using Fast Fourier Transform (FFT). First method is useful for understanding of basic idea of DFT, but it is not fit for practical and application purpose. In second method is based on detecting known waveform in another signal. It is us...

with the aim of recognizing the steric effects on the silylenic r2c6h6si structures, dft calculationsare carried out on 8 structures of r2c6h6si (where r is hydrogen (h), methyl (me), isopropyl (i-pro),and tert-butyl (tert-bu)). these species are at either triplet (t) or singlet (s) states. singlet–tripletenergy separations ( me (20.32) > t-bu (15.92).all singlet states of r2c6h6si, are more st...

The problem of constructing an orthogonal set of eigenvectors for a DFT matrix is well studied. An elegant solution is mentioned by Matveev in [1]. In this paper, we present a distilled form of his solution including some steps unexplained in his paper, along with correction of typos and errors using more consistent notation. Then we compare the computational complexity of his method with the m...

an interaction potential at different orientation for the ch4 and co2 complex was derived at theb3lyp level of theory and 6-31+g* basis sets. the potential energy surface was computed on somemolecular geometries. the complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. to determine the second virial coefficients b, u(r) is used to obtain themodel’s ...

electronic effects were investigated on the singlet–triplet energy gaps of divalent unsaturated seven- membered ring r2c6h6m (m=c, si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) at b3lyp/6-311++g** level. all the triplet states of r2c6h6c were more stable than the related the singlet states while all the singlet states of r2c6h6m (m= si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) were more stable than th...