msecp property acronym
version of the SECP potential called MSECP (modified Stuttgart effective core potential). In the MSECP, we used the l ) 2 potential for all values of l G L + 1, and we rewrote eq 3 so that it is of the same form as eq 1; thus the MSECP is of the same form as the ab initio ECPs. and, and 1â². Al 1â+,â-, andâ+ 1â+ in â â)))) â