Recently, Tao and Mo derived a meta-generalized gradient approximation functional based on a model exchange-correlation hole. In this work, the performance of this functional is assessed on standard test sets, using the 6-311++G(3df,3pd) basis set. These test sets include 223 G3/99 enthalpies of formation, 99 atomization energies, 76 barrier heights, 58 electron affinities, 8 proton affinities,...

In this paper, a new Voicing Cut-Off Frequency (VCO) estimation method based on inverse filtering is presented. The spectrum of residual signal got from inverse filtering is split into sub-bands which are clustered into two classes by using K-means algorithm. And then, the Viterbi algorithm is used to search a smoothed VCO contour. Based on this new VCO estimation method, an adaptation of Harmo...

We investigate the collective excitations of a single-species Bose gas at T = 0 in a harmonic trap where the confinement undergoes some splitting along one spatial direction. We mostly consider onedimensional potentials consisting of two harmonic wells separated a distance 2z 0 , since they essentially contain all the barrier effects that one may visualize in the 3D situation. We find, within a...

We present the results of two-dimensional numerical simulations of stellar galactic disks, aimed at studying the non-linear coupling between bar and spiral waves and modes, in disks with realistically peaked rotation profiles. The power spectrum analysis of the perturbed density in the disk, for azimuthal numbers ranging from m = 0 to m = 4, shows an unambiguous signature of non-linear coupling...

We report a theoretical study of third-harmonic generation (THG) microscopy by use of a Green’s function formulation. The third-harmonic signal under a tight-focusing condition is calculated for samples with various shapes and sizes. Our results show that THG signals can be efficiently generated at a sizable interface perpendicular or parallel to the optical axis or from a small object with a s...

On the basis of spectral-expansion Green s function theory, we theoretically describe the fundamental harmonic (FH) and second harmonic (SH) local fields at nanorough surfaces of silver and gold. The numerical simulation of these fields in the model of random planar composites has shown that the SH local-field intensity possesses power-law (scaling) distribution for a wide range of system and e...

We have studied the excitation second-order nonlinearity through a triangular lattice perforated gold film instead of square lattice in many papers. Under the excitation of surface plasmas resonance effect, the second order nonlinearity exists in the noncentrosymmetric split-ring resonators arrays. Reflection of fundamental frequency wave through a triangular lattice perforated gold film is obt...

Nano-structuring can significantly modify the properties of materials. We demonstrate that size-dependent modification of the spin-wave spectra in magnetic nano-particles can affect not only linear, but also nonlinear magnetic response. The discretization of the spectrum removes the frequency degeneracy between the main excitation mode of a nano-particle and the higher spin-wave modes, having t...

We investigate a method of selectively targeting cancer cells by means of ultrasound harmonic excitation at their resonance frequency, which we refer to as oncotripsy. The geometric model of the cells takes into account the cytoplasm, nucleus and nucleolus, as well as the plasma membrane and nuclear envelope. Material properties are varied within a pathophysiologically-relevant range. A first m...

Response of a transversely isotropic 3-D half-space subjected to a surface time-harmonic excitation is presented in analytical form. The derivation of the fundamental solutions expressed in terms of displacements is based on the prefect series of displacement potential functions that have been obtained in the companion paper by the authors. First the governing equations are uncoupled in the cyl...