From owner-nwchem-users@emsl.pnl.gov Thu Sep 21 15:37:27 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id k8LMbQ9q016024 for ; Thu, 21 Sep 2006 15:37:27 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id k8LMbQws016023 for nwchem-users-outgoing-0915; Thu, 21 Sep 2006 15:37:26 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 1.4 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AY8CAEWwEkWLdAsODQ X-IronPort-AV: i="4.09,197,1157353200"; d="scan'208"; a="5308320:sNHT15972229" Message-ID: <45131521.6070800@kent.edu> Date: Thu, 21 Sep 2006 18:41:37 -0400 From: brett ellman User-Agent: Thunderbird 1.5 (X11/20051201) MIME-Version: 1.0 To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] mp2 multipoles Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit X-Mlf-Version: 4.6.0.7527 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hello: Does nwchem support the calculation of multipole moments via the properties keyword using MP2 instead of, e.g., SCF? Regards, Brett -- Brett Ellman Associate Professor of Physics Kent State University 105 Smith Lab Kent, OH 44242 (330) 672-9575 (330) 672-2959 (FAX)