From jkl@ccl.net Tue Mar  5 12:09:05 1991
Date: Tue, 05 Mar 91 11:55:56 EST
From: jkl@ccl.net
Subject: Append to Part 3/3 of Basis set Intro.
To: chemistry@ccl.net
Status: RO

Seems like these few lines were chopped from the Part 3/3 of the
Basis Intro. Just append them to the Part 3/3 at the end.
Jan Labanowski
jkl@ccl.net

=================== cut here and append to Part 3/3 at the end =========
specific to this potential. As a result of applying the ECP's you drastically
reduce number of needed basis functions, since only functions for valence
electrons are required. In many cases, it would simply be impossible to perform
some calculations on systems involving heavier elements without ECP's (try to
calculate number of functions in TZ2P basis set for e.g. U, and you will
know why).


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