原子参量相关论文
利用多组态求解相对论性的Hartree-Fock-Roothan方程(HFR)方法计算了类氖离子(Z=13~27)2s2 2p6-2s2 2p53s能级之间跃迁的原子参量,......
应用强场近似拟合了10个假四面体Co(Ⅱ)(C<sub>2γ</sub>)配合物的配体独场光谱,由拟合得到的单电子矩阵元得到了各个配体的AOM参量......
Bond connectivity topological index Si based on chemical bonds was defined by using a matrix method.And Si is formed by ......