DV-X_α方法相关论文
Structure of 19 cluster cations for AgPn+ and AumPn+ generated by laser plasma reactions have been designed according to......
分别用EHCO和DV-Xα方法,计算研究了α-NaN3、β-NaN3和AgN3的能带结构和原子簇电子结构.AgN3与NaN3相比:带隙(△Eg)较小、带宽(BW)较大,因......