From chemistry-request[ AT ]ccl.net Mon May 9 11:34:23 2005 Received: from linus.imcm.cas.cz (Linus.imcm.cas.cz [147.231.77.250]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j49FYMNq014530 for ; Mon, 9 May 2005 11:34:22 -0400 Received: from linus.imcm.cas.cz (localhost [127.0.0.1]) by linus.imcm.cas.cz (8.12.11/8.12.11) with ESMTP id j49DwUDl023863 for ; Mon, 9 May 2005 15:58:30 +0200 Received: from localhost (ccl*- at -*localhost) by linus.imcm.cas.cz (8.12.11/8.12.11/Submit) with ESMTP id j49DwOMO023860 for ; Mon, 9 May 2005 15:58:30 +0200 Date: Mon, 9 May 2005 15:58:23 +0200 (CEST) From: Petr Toman To: CHEMISTRY!at!ccl.net Subject: CCL: Correction of Koopmans ionization potentials Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Dear colleagues, I heard that the Koopmans ionization potentials (HF method) can be corrected by a multiplication factor of about 0.92, but I am not sure it is true. Could anybody provide me some references to the corrections of Koopmans ionization potentials? Best regards, Petr Toman