老师，看你给这么多人回帖，我有个问题想请教你，我觉得你可以帮我的。
有关高斯计算中的混合基组中自定义基组的用法例如
问题1：The optimized Gaussian basis set (31111s/22111p/411d) and the effective core potential (ECP) were taken from Andrae et al.The Cu basis set was augmented with two αf-functions: αf =3.1235 and αf =1.3375.有关Cu的基组定义部分不明白，怎么用这种 基组 (31111s/22111p/411d，怎么加上极化呢？
问题2：Cl的基组怎么可以用这个(631111s/52111p)，而且怎么加上极化a d-polarization functionαd=0.75呢
问题3：有类似这样的基组631111s/52111p吗，怎么用呀？
回复此楼
+2/336
