From owner-chemistry(+ at +)ccl.net Sun Jan 13 12:16:00 2013 From: "Tymofii Nikolaienko tim_mail%x%ukr.net" To: CCL Subject: CCL: proper RI-JK citation Message-Id: <-48061-130113114948-14055-K6On1L9veuAbMNKbMh3bNw[-]server.ccl.net> X-Original-From: Tymofii Nikolaienko Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=windows-1252; format=flowed Date: Sun, 13 Jan 2013 18:49:33 +0200 MIME-Version: 1.0 Sent to CCL by: Tymofii Nikolaienko [tim_mail*|*ukr.net] Dear CCLers! Could someone kindly help me and provide proper citation for the paper introducing the "RI-JK" resolution-of-identity algorithm in the form as it is implemented in Orca 2.9 ? My own findings are: a) F. Weigend, Phys. Chem. Chem. Phys. 4, 4285 (2002), b) Neese F., J. Comp. Chem., 24, 1740–1747 (2003), c) S. Kossmann and F. Neese, Chem. Phys. Lett. 481, 240 (2009), but I'm not sure that any of these papers describe _exactly_ the algorithm used in Orca. Thank you in advance! Yours sincerely Tymofii