From owner-nwchem-users@emsl.pnl.gov Mon Apr 7 14:13:40 2008 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id m37LDddx008154 for ; Mon, 7 Apr 2008 14:13:40 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id m37LDdnc008153 for nwchem-users-outgoing-0915; Mon, 7 Apr 2008 14:13:39 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: E=Sophos;i="4.25,618,1199692800"; d="scan'208";a="73040207" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Subject: RE: [NWCHEM] excited state gradients Date: Mon, 7 Apr 2008 14:13:10 -0700 Message-ID: X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: [NWCHEM] excited state gradients Thread-Index: AciY5/859RzwbbulR7G03pn0vvvpfgAC1jib References: <47FA7508.7060006@chem.bu.edu> From: "Fan, Peng-Dong" To: "Yann Tambouret" , X-OriginalArrivalTime: 07 Apr 2008 21:13:15.0546 (UTC) FILETIME=[31D3B7A0:01C898F4] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Analytical gradients for EOM-CCSD is under development and will be = availiable in one of next release. Thanks, Peng-Dong Fan -----Original Message----- From: owner-nwchem-users@emsl.pnl.gov on behalf of Yann Tambouret Sent: Mon 4/7/2008 12:24 PM To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] excited state gradients =20 Dear NWChem Developers, Are there any prospects for TDDFT analytic gradients in NWChem? For any=20 other excited state method? Thanks, Yann BU Chemistry