[DFTB-Plus-User] Long-range TD-DFTB implementation
María del Sagrario Rossano Tapia
rossanot at ualberta.ca
Mon Nov 6 23:56:27 CET 2017
Thank you so much!
On Mon, Nov 6, 2017 at 2:01 AM, Ben Hourahine <
benjamin.hourahine at strath.ac.uk> wrote:
> 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).
> On 03/11/17 21:55, María del Sagrario Rossano Tapia wrote:
> 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 listDFTB-Plus-User at mailman.zfn.uni-bremen.dehttps://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 <+44%20141%20548%202325>, 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,
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