Calcium Basis Sets
Hello --
Recently, I began some structural calculations on calcium complexes.
So far, I have only found 3 RHF basis sets which allow me to have Ca as an
atom -- PM3 (parameterized by Spartan), STO-3G, and 3-21G(*). The
calculations which I am doing require a bit more precision than these basis
sets allow, but I cannot find any other basis sets which are parameterized
for Calcium. If anyone can help, it will be greatly appreciated.
Thanks,
Ray Crawford
Research Associate
The Procter & Gamble Company
crawford.ra %! at !% pg.com
PS--> Beings that I AM NOT A MEMBER OF THIS LIST, please send all
responses directly to the above mentioned address.
Thanks!!!!