凝聚态物理从头计算的最新进展

Recent advances of ab initio calculations in condensed matter physics

文章评述了凝聚态物理从头计算(ab initio calculation)的一些最新进展.分8个问题进行了介绍,它们是:(1)静态密度泛函发展的两种思路;(2)固体的泛函:晶格常数的准确确定;(3)动态(含时)密度泛函及动态密度矩阵泛函;(4)半导体电子结构的计算:带隙和带序;(5)f电子和强关联金属;(6)莫特(Mott)绝缘体;(7)非共价(弱)相互作用;(8)以波函数为基础的研究.此外,文章还提供了一些相关的背景知识.

Recent advances of ab initio calculations in condensed matter physics are presented, with re gard to the following eight issues, l. Two ways of thought in static density functional theory; 2. Functional forms in solid state theory; 3. Time dependent density functional theory and density matrix functional theory; 4. Calculations of band structure in semiconductors： band gap and band order; 5. f electrons and strong correlated metals; 6. Mott insulators; 7. Noncovalent （weak） interactions; 8. Wave function based research. Some background knowledge is presented also.