MadSci Network: Chemistry |
Do the Slater rules for screening constants take into account the stability of filled and half filled orbitals? What other things did Clementi&Raimondi take into account when they calculated their values for effective nuclear charge? I know that Slater and Clementi&Raimondi came up with close results, but they both calculated different results. I know that certain elements (Cr for example) prefer an unexpected electronic configuration due to the exchange energies that "override" the spin-spin energies. However, how does the special stability of half-filled orbitals relate to the effective nuclear charge, and is it ever considered when calculating Zeffective?
Re: Do the Slater rules for determining screening constants take into account
Try the links in the MadSci Library for more information on Chemistry.