From owner-chemistry@ccl.net Thu Mar 25 01:48:00 2010
From: "Haibin Li lihb734[A]yahoo.com" <owner-chemistry^-^server.ccl.net>
To: CCL
Subject: CCL: Applicability of Density Functional
Message-Id: <-41523-100324085439-5541-fu8uzdnEUmb8r6VkqsXZhw^-^server.ccl.net>
X-Original-From: "Haibin  Li" <lihb734]-[yahoo.com>
Date: Wed, 24 Mar 2010 08:54:36 -0400


Sent to CCL by: "Haibin  Li" [lihb734,yahoo.com]

Dear CCLers:
  As we know, Density Funtional Theory (DFT) become more and more popular in the field of Computational Chemistry. Although the exact form of Exchange-Correlation Functional is not known, many expert have developed a wide variety of approximate functional designed to specific systerms, for example, SAOP potential was developed specifically to investigate spectropic properties. Thus, when a novice enter the fied of DFT, how can he understand which functional is suitable for the systems under his investigation? Is there any reference or deposity or database to which we can refer? Or, we should read all papers concerning the developmen of functional, benchmark test
 Thanks in advance for your help.