CCL Home Page
Up Directory CCL 14.01.15 Webinar Presentation by Prof. Nick Besley, entitled "Studying X-ray Absorption Spectroscopy With Q-Chem"
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Thu Dec 26 15:24:40 2013
Subject: 14.01.15 Webinar Presentation by Prof. Nick Besley, entitled "Studying X-ray Absorption Spectroscopy With Q-Chem"
Registration:  https://attendee.gotowebinar.com/register/3029800303148869889
Time:  1pm - 2pm EST

Summary:  
The spectroscopy of core electrons has a long history and is used in many areas of research. 
The spectroscopy of core electrons offers a number of advantages over analogous techniques in 
the ultraviolet region. The spatially local nature of the core orbitals and large energy difference 
between core orbitals of different elements means that the spectroscopic techniques can provide 
an atom specific probe of electronic structure. Furthermore, in recent years there have been 
considerable advances in the quality and availability of X-ray sources, providing spectroscopy 
in the X-ray region with a richness in structure that can match more traditional spectroscopy in 
the ultraviolet region.

Theoretical calculations play an important role in the analysis and interpretation of experimental 
spectra.  This Webinar will focus on the calculation of x-ray absorption spectroscopy within the 
framework of time-dependent density functional theory (TDDFT). The additional factors that need 
to be considered, and problems encountered when computing x-ray absorption spectroscopy 
compared to a TDDFT calculation to determine valence excited states will be discussed and the 
solutions available in the Q-Chem software will be described.
NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to %x% to fight spam. Before you send e-mail, you need to change %x% to @
For example: change joe%x%big123comp.com to joe@big123comp.com
Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at http://www.ccl.net/chemistry/a/conferences/.

Please help: If you find this conference list useful but you noticed some conference missing, please consider including it here by using the Conference Submission Page. It is free but your support is welcome. You will help others!!!

Modified: Thu Dec 26 20:24:40 2013 GMT
Page accessed 1591 times since Thu Dec 26 20:24:40 2013 GMT

Please help maintain CCL: If you found that your conference is listed here, please consider supporting CCL as a Supporting Member or use other Paid Services of CCL to ensure the continuation of this useful service. We cannot do it without your help.