Densityfunctionaltheory(DF相关论文
Sulfur-doped 3D hierarchical porous carbon network toward excellent potassium-ion storage performanc
Carbonaceous materials are promising anode candidates for potassium-ion batteries,but currently the unsatisfactory cycli......
提出了一种杂化多组态密度泛函新方法——λ-DFCAS.在λ-DFCAS方法中,电子相关能被分为静态和动态相关能.静态相关能由多组态波函......
期刊