General announcements

Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…

Due to the large number of posts recently, there is currently a 3-4 week delay between posts being submitted and emails being sent to the mailing list. Please bear with us while we try to improve this.

In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.


special issue of Mathematics on computational sp ... (No replies)

sergeimanzhos
6 years ago
sergeimanzhos 6 years ago

Dear colleagues,
I would like to bring to your attention the special issue of Mathematics on computational spectroscopy: http://www.mdpi.com/journal/mathematics/special_issues/computational_spectroscopy

In this Special Issue, we attempt to bring together works that aim to solve vibrational, electronic, or related versions of the Schrödinger equation (such as the Kohn-Sham equation) or equations used in other applications with ideas portable to computation of vibrational or electronic spectra. 

We would like to juxtapose ideas that can be used in different applications (such as electronic and vibrational problems). We welcome papers addressing the issues of computing eigensolutions, of coupling of degrees of freedom, basis size and completeness, selection of quadrature and collocation grids, use of rectangular matrices, approximations to calculations of excitations, etc.

The deadline is currently set at August 31.

Best regards

 

Sergei Manzhos 
https://sites.google.com/site/sergeimanzhos/ 




Back to General announcements...

Leave a Reply

This site uses Akismet to reduce spam. Learn how your comment data is processed.

Ab initio (from electronic structure) calculation of complex processes in materials