From KARPATI(+ at +)ch.bme.hu Thu Nov 9 12:32:39 1995 Received: from ns.bme.hu for KARPATI # - at - # ch.bme.hu by www.ccl.net (8.6.10/950822.1) id MAA29697; Thu, 9 Nov 1995 12:23:18 -0500 Received: from ch.bme.hu (ch.bme.hu [152.66.64.1]) by ns.bme.hu (8.6.12/8.6.12) with SMTP id SAA23322 for ; Thu, 9 Nov 1995 18:07:26 +0100 Received: from CH/TEMPQ by ch.bme.hu (Mercury 1.12); Thu, 9 Nov 95 18:29:12 +1100 Received: from TEMPQ by CH (Mercury 1.12); Thu, 9 Nov 95 18:28:52 +1100 From: "Karpati Tamas" To: chemistry -A_T- www.ccl.net Date: Thu, 9 Nov 1995 18:28:48 GMT+100 Subject: CCL:polarization ftns for bulky atoms X-Confirm-Reading-To: "K rp ti Tam s" X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail v3.22 Message-ID: <78170CC5777: at :ch.bme.hu> Hi netters, I am interested in doing ab initio calculations for some Hg, As and Sb compunds. Because of bulky atoms I have to use ECP basis set LANL1DZ of G94, but I would like to include polarization funtions. So my problem is that I do not know the standard polarization funtions for these atoms. Could anyone help me? Thanks in advance. Tamas Karpati, student (TU of Budapest) KARPATI-!at!-CH.BME.HU