From chemistry-request@ccl.net Fri Apr 9 08:09:10 2004 Received: from helix.nih.gov (helix.nih.gov [128.231.2.3]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i39D99jR009526 for ; Fri, 9 Apr 2004 08:09:09 -0500 Received: (from hlwoodc@localhost) by helix.nih.gov (8.11.7-8.359.2.8/8.11.6) id i39D9Lu9519352; Fri, 9 Apr 2004 09:09:21 -0400 (EDT) Date: Fri, 9 Apr 2004 09:09:21 -0400 From: "Woodcock, H. Lee" To: Jim Kress cc: chemistry.-at-.ccl.net Subject: Re: CCL:DFT functionals comparison In-Reply-To: <000801c41da3$a5997970$0901a8c0@mmserver> Message-ID: References: <000801c41da3$a5997970$0901a8c0@mmserver> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Thu, 8 Apr 2004, Jim Kress wrote: >I searched the CCL archive and could find nothing on this topic. > >Does anyone on the list know of (and would share) a (recent) comprehensive >review of DFT functionals and the quality of their prediction of molecular >properties? This is a good review of DFT functionals as they compares to Electron affinities..... Atomic and molecular electron affinities: Photoelectron experiments and theoretical computations Rienstra-Kiracofe JC, Tschumper GS, Schaefer HF, Nandi S, Ellison GB CHEMICAL REVIEWS 102 (1): 231-282 JAN 2002