From schrecke(+ at +)zinc.chem.ucalgary.ca Thu Sep 12 13:11:13 1996 Received: from zinc.chem.ucalgary.ca for schrecke %-% at %-% zinc.chem.ucalgary.ca by www.ccl.net (8.7.5/950822.1) id MAA16859; Thu, 12 Sep 1996 12:17:16 -0400 (EDT) From: Received: by zinc.chem.ucalgary.ca (AIX 3.2/UCB 5.64/4.03) id AA20372; Thu, 12 Sep 1996 09:57:45 -0600 Message-Id: <9609121557.AA20372-: at :-zinc.chem.ucalgary.ca> Subject: ECP's and PP's To: chemistry&$at$&www.ccl.net Date: Thu, 12 Sep 1996 09:57:43 -0600 (MDT) Reply-To: schrecke-!at!-zinc.chem.ucalgary.ca (Georg Schreckenbach) Organization: Department of Chemistry, University of Calgary X-Mailer: ELM [version 2.4 PL23] Content-Type: text Hi everybody, I have just read the interesting summary by Dale Braden in the CCL on ECP's. One of the questions he raised in his original posting was whether there is a difference between "effective core potentials" and "pseudopotentials". To my limited knowledge, there is none. But maybe one of the experts could comment on this question? -- I couldn't find a definite answer in the mentioned summary. So my question is, what -- if any -- is the difference between PP's and ECP's? Just curious ... Thanx, Georg P.S. I will summarize to the list if there are any answers. -- ============================================================================== Georg Schreckenbach Tel: (Canada)-403-220 8204 Department of Chemistry FAX: (Canada)-403-289 9488 University of Calgary Email: schrecke \\at// zinc.chem.ucalgary.ca 2500 University Drive N.W., Calgary, Alberta, Canada, T2N 1N4 ==============================================================================