Subject: Symmetry and 2e integrals

From: <[email-masked]>
Date: Tue, 09 Jan 1996 11:00:56 +1000

Dear computational chemist

How does one best use symmetry to reduce the number of two-electron integrals
in a molecular calculation? If one decides to use group theory and finds the
symmetry adapted basis in terms of the starting AO basis then how is it used
to simplify things? Any help will be appreciated greatly.

Yours sincerely

Hugh