Aufbau irregularities
- From: Allen Adler <adler;at;hera.wku.edu>
- Subject: Aufbau irregularities
- Date: Mon, 31 Aug 1998 01:59:29 -0500
As one progresses through the elements by atomic number, the
pattern by which the electronic shells get filled is fairly
regular, but there are a few elements displaying irregularities,
e.g. those marked by an asterisk in the table on p.B-1 of my issue
of the CRC Handbook of Chemistry and Physics.
I imagine that these irregularities have been the object of a lot of
study, particularly in computational chemistry. So what I would like to
know is:
(1) have these irregularities been independently confirmed by
ab initio computations?
(2) Apart from a brute force computation, have heuristic reasons been
given why the Schrodinger (or whatever) equation should give rise
to these anomalies?
(3) I know that different isotopes of an element are supposed to have
the same chemical properties; but the atomic mass does appear in
the Schrodinger equation, so it is conveivable that by choosing a
suitable isotope for each element, one can obtain a table of electronic
configurations in which no irregularities appear. Has this been observed
or calculated?
(4) Assuming the premise of (3) is correct, is there a table of the
electronic configurations of all of the isotopes?
Naively,
Allan Adler
adler;at;hera.wku.edu