[CP2K:5690] TDDFPT implementation

[Andrei Buin]

Dear Juerg,

Thanks a lot.

With Best Regards, Andrei Buin.


среда, 1 октября 2014 г., 12:24:13 UTC-4 пользователь jgh написал:
>
> Hi 
>
> best source is the Thesis of Thomas Chassaing: 
>
> Excitation energy calculations with TD-DFT (2005) 
>
> An electronic version is online, accessible through the 
> Zentralbibliothek Zurich. 
>
>
> http://opac.nebis.ch/F/G2I4X9KS9I75Y84DYECJGQJFNLA95591B8KC6SXT4SMB8F727C-05737?func=find-c&local_base=hoch&ccl_term=WAU%3DChassaing&sc1=WAU&sr1=Chassaing&filter_code_1=WLC&filter_request_1=uni-zh+AND+wft%3Delektron+daten+fernzugriff&pds_handle=GUEST 
>
> if this link is not working, try google. 
>
> regards 
>
> Juerg 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: hut... at chem.uzh.ch 
> <javascript:> 
> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----cp... at googlegroups.com <javascript:> wrote: ----- 
> To: cp... at googlegroups.com <javascript:> 
> From: Andrei Buin 
> Sent by: cp... at googlegroups.com <javascript:> 
> Date: 10/01/2014 05:51PM 
> Subject: [CP2K:5690] TDDFPT implementation 
>
> Dear developers, 
>
> I found that TDDFPT was implemented using original Casida's work, I was 
> wondering if anybody can point to the implementation paper of the TDFPT in 
> the CP2K article ? 
>
> With Best Regards, Andrei Buin. 
>
>
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