物理化学学报2016,Vol.32Issue(9):2197-2208,12.DOI:10.3866/PKU.WHXB201605301
最优化“调控”区间分离密度泛函理论的研究进展
Recent Advances in the Optimally "Tuned" Range-Separated Density Functional Theory
摘要
关键词
密度泛函理论/含时密度泛函理论/最优化调控区间分离泛函/带隙Key words
Density functional theory/Time-dependent density functional theory/Optimally-tuned range-separated functional/Band gap分类
化学化工引用本文复制引用
孙海涛,钟成,孙真荣..最优化“调控”区间分离密度泛函理论的研究进展[J].物理化学学报,2016,32(9):2197-2208,12.基金项目
The project was supported by the National Natural Science Foundation of China (11474096,51203121,21603074) and China Postdoctoral Science Foundation (2014M561435).国家自然科学基金(11474096,51203121,21603074)和中国博士后科学基金(2014M561435)资助项目 (11474096,51203121,21603074)