交换关联势对PbS电子结构的影响

基于第一性原理总能量平面波全势方法,采用广义梯度近似(GGA)和局域密度近似(LDA)的不同的交换关联势,分别计算面心结构(NaCl结构)PbS的总能,并给出了体系平衡时的晶格常数.讨论了不同交换关联势对晶格常数的影响;分析了体系平衡时的能带结构、能隙、态密度和分波态密度.结果表明交换关联对电子结构有显著影响.     

Recipes Prediction by Matching to K/S Values Based on New Two-constant Theory

A concept of new two-constant of colorant, both （ R/St ） and （s/St）, is introduced based on the Kubelka-Munk theory. A new two-constant theory for color matching is presented. Basic equations used in matching to K/S values are given in matrix form based on the new two-constant theory. Algorithm for a least-squares match to K/S values of a sample is developed by use of the new two-constant theory. The algorithm is suitable for single-constant theory as well as two-constant theory. The experimental data show that calculating K/S values of disperse dyes based on new two- constant theory are accordant with the measuring ones. The recipes predicted by new two-constant theory arc closer to the actual recipes of the standard sample than the recipes predicted by single-constant theory. The sample according to the recipe predicted by new two-constant theory has smaller color difference against for the standard than the sample according to the recipe predicted by single-constant theory. The results show that the scattering of disperse dyes cannot be negligible, and that the recipes match to textiles colored by disperse dyes should be predicted by using of new two-constant theory.     

在有压缩真空注入的腔中∧型三能级原子的稳态粒子布居

用主方程方法研究了有压缩光入射的腔中受激光场驱动的∧型三能级原子的稳态行为，在劣持腔近似下讨论了原子的稳态粒子布成值的特点，发现腔的作用降低了压缩真空中的双光子关联，原子的相干跃迁速率和压缩真空的位相对原子的稳态粒子布居有很大影响。