From owner-chemistry@ccl.net Sat Nov 19 07:22:00 2005 From: "Rick Muller rmuller#,#sandia.gov" To: CCL Subject: CCL: Computation of density gradients on Lebedev grids Message-Id: <-30002-051119071611-7968-htAEnkSeTC6LrSGHsG67Mw : server.ccl.net> X-Original-From: "Rick Muller" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii; delsp=yes; format=flowed Date: Sat, 19 Nov 2005 05:15:49 -0700 MIME-Version: 1.0 Sent to CCL by: "Rick Muller" [rmuller=sandia.gov] Can anyone point me to a reference for the calculation of density gradients on Lebedev grids? I suspect that one computes the multipole moments of the density and gets the gradients from there, but I haven't actually ever found a reference for this, and would be interested in seeing one. Thanks in advance, Rick Rick Muller rmuller:_:sandia.gov