Subject: two-electron integrals from G94

From: [email-masked] (Georg Schreckenbach)
Date: Mon, 15 Jun 1998 14:46:00 -0600

Hi everybody,

is there a (hopefully easy) way to print out from GAUSSIAN a few two-electron
integrals of the sort (ab|ij) or (ai|bj) where a and b are selected virtual
MOs,
and i and j are some occupied MOs? -- I use the usual definition for the
integrals, namely:

(pq|rs) = integral [psi_p(r1) * psi_q(r1)*(1/r12)*psi_r(r2)*psi_s(r2)*dr1*dr2

Thanx!  Georg

--
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Dr. Georg Schreckenbach           Tel:     (USA)-505-667 7605
Theoretical Chemistry T-12        FAX:     (USA)-505-665 3909
M.S. B268, Los Alamos National      E-mail:  [email-masked]
Laboratory, Los Alamos, New Mexico, 87545, USA
Internet:    http://www.t12.lanl.gov/~schrecke/
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