Apologies for cross posting.
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!
Anna.
----------------------------------------------------------------------------
Dr. Anna Krylov, Ph.D., B.B.G.
Professor of Chemistry
Dept. of Chemistry
SSC #409
University of Southern California
Los Angeles, CA 90089-0482
Phone: (213)740-4929
Fax: (213)740-3972
e-mail: [log in to unmask]
home pages: http://iopenshell.usc.edu/krylovgroup
We are Gaussian-Free Zone (http://www.bannedbygaussian.org)
\|/ ____ \|/
@~/ ,. \~@
/_( \__/ )_\
----\__U_/-----
-----------------------------------------------------------------------------
To join or leave the molecular-dynamics-news email list, go to:
http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html
|