The formalism of Colwell, Handy and Lee for the calculation of frequency-dependent properties using current density functional theory has been implemented using local, non-local or hybrid functionals. This theory has been applied to the calculation of frequency-dependent polarizabilities and dispersion ...
A radio-frequency (RF) inductive ion source at 27.12 MHz is investigated. With a global model of the argon discharge, plasma density, electron temperature and ion current density of the ion source is calculated in relation to absorbed RF power and gas pressure as a discharge chamber size ...
②确定BP曲线③在“CoreLossUnit”对话框里选择BP曲线的单位④输入频率Frequency、硅钢片质量密度MassDensity、导电率Conductivity、厚度Thickness的值和单位。Kh——滞后系数(HysteresisCoefficient)Kc——经典涡流系数(ClassicalEddyCoefficient)Ke——过量系数(ExcessCoefficient)Kdc——考虑直流偏磁效应的系数 validatematerial—...
The recent development of density functional theory (DFT) makes it possible to calculate accurately metalloporphyrin structures and potential surfaces. Thi... TG Spiro,PM Kozlowski,MZ Zgierski - 《Journal of Raman Spectroscopy》 被引量: 160发表: 1998年 Variational calculation of force-frequency const...
RECENTLY 1–4 , a lamination method has been developed for the calculation of electron density-height profiles ( N ( h ) profiles) from ionospheric virtual height-frequency curves ( h ′( f ) curves) with an electronic digital computer....
The electronic band structures of some A5B6C7-type ternary compounds, BiSeI, BiSI, BiSCl, BiSBr, BiSeBr and SbSeBr, are investigated using the density functional theory and pseudopotential theory under the generalized gradient approximation (GGA). The electronic band structures obtained show that th...
Where β is the heating rate, A is pre-exponential or frequency factor, a is the degree of conversion, E is the activation energy, and R is the universal gas constant. In this model, the kinetic graph is plotted between 1/T and lnβ for various degrees of conversion. The slope and ...
1. Power Density 2. Power in Watts 3. Current Because when I plot, I get a straight line for Watts and Current. And what to do for Current Density? And Finally how can I set a vibration level say 1 m/s2 for some beam fixed at one end?
for exchange correlation functionals in the local density approximation or generalized gradient approximation (GGA), but also for the more advanced functionals, such as meta-GGA, hybrid functionals and so on. Note that the hybrid functionals demand a larger cutoff radius for constructing crystal ...
Further, more complete spectral analysis is also occasionally done when vibrationally resolved electronic spectra are available (absorption, fluorescence, Raman, Resonance Raman etc.) and when the molecule is small enough to allow for the Hessian (i.e. vibrational frequency) computation....