MadSci Network: Chemistry
Query:

Subject: Do the Slater rules for determining screening constants take into account

Date: Sun Oct 5 14:18:36 2003
Posted by Laura
Grade level: undergrad School: University of Michigan
City: Flint State/Province: MI Country: USA
Area of science: Chemistry
ID: 1065381516.Ch
Message:

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

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