From owner-chemistry@ccl.net Fri Apr 23 00:45:00 2010 From: "Kadir Diri dirikadir|*|gmail.com" To: CCL Subject: CCL: ezDyson v2 is available for download Message-Id: <-41701-100422220535-12925-eXeb3Gw0lzi/L5RyWD4DFw*server.ccl.net> X-Original-From: Kadir Diri Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Thu, 22 Apr 2010 18:04:50 -0700 MIME-Version: 1.0 Sent to CCL by: Kadir Diri [dirikadir _ gmail.com] Dear Colleagues, A new release of ezDyson, a program for calculating absolute and differential cross sections of photoelectrons is available for download: http://iopenshell.usc.edu/downloads/ezdyson/ ezDyson requires Dyson orbitals computed by an ab initio program and is based on a simple model that involves the dipole and sudden ionization approximations, and neglects the interaction between the outgoing electron and the ionized core. A general xml input format allows easy customizations and interfacing with different ab initio programs. Version 2 of ezDyson features analytical averaging of molecular orientation for the total cross section and fixes several bugs. Enjoy! kadir --------------- Kadir Diri, PhD Research Scientist Department of Chemistry and iOpenShell Center SSC #401 University of Southern California Los Angeles, CA 90089-0482 -------------------------- Relativistic correction to Murphy's law: Whether things can go wrong or not, depends on your frame of reference.