[DFTB-Plus-User] Long-range TD-DFTB implementation

Ben Hourahine benjamin.hourahine at strath.ac.uk
Mon Nov 6 10:01:18 CET 2017


Hello Maria,

there is a range separated exchange functional under development by
several groups. Currently plans are that DFTB+ will probably include
this in a release in 2018 (hopefully in the first quarter).

Regards

Ben


On 03/11/17 21:55, María del Sagrario Rossano Tapia wrote:
> Hello, 
>
> I have been using DFTB+ to calculate some excited state properties and
> in my way I found out that there has been made a long-range correction
> to the TD-DFTB method. I was wondering then, are there any plans to
> release this new implementation soon? 
>
> Thank you so much. 
> Best regards,
> Maria Rossano
>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user

-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, benjamin.hourahine at strath.ac.uk

2013/14 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20171106/fcc30668/attachment.html>


More information about the DFTB-Plus-User mailing list