Density Functional Theory [物] 密度泛函理论 ; 理论 ; 密度泛函 ; 密度泛函法
density functional method 密度泛函 ; 密度泛函法
Density Functional Methods 密度泛函方法 ; 密度泛函
Hybrid Density Functional 杂化密度泛函
density-functional calculations 密度泛函计算
local density functional 局域密度泛函
Dynamic density functional theory 动态密度泛函 ; 利用动态密度泛函 ; 动态密度泛函理论
Density functional theory method 采用密度泛函法
Due to the progress in computationalmethods and enhancement of computational ability, density functional theory （DFT） has become one of the most important methods in such magnetic materials.
得益于计算机科学和理论物理化学的发展，基于密度泛函理论的第一性原理计算方法使理论研究磁性材料成为了现实。
参考来源 - 新型磁性材料的第一性原理计算与设计研究·2,447,543篇论文数据，部分数据来源于NoteExpress
Density functional theory (DFT) of quantum chemistry was briefly introduced.
简要介绍了量子化学中的密度泛函理论。
Reaction energy was always estimated by Group additivity method and density functional theory.
反应能量主要采用原子团加和方法以及密度泛函理论进行估算。
Recent progress in density functional theory (DFT) and its numerical methods is briefly reviewed.
综述了密度泛函理论及其数值方法的最新进展。
应用推荐