Re: [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
I doubt that this is of interest. Am 08.12.2016 um 14:11 schrieb Osama Yassin: Dear Colleague I came across the article: *Understanding density functional theory (DFT) and completing it in practice. **It may be of interest for develpers and users of DFT.* http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 The article is open for free. Best wishes *_Osama _* *Prof Dr Osama Ali Yassin ** ** * */Professor of Solid State Physics and former ICTP regular associate/* */Department of Physics, Faculty of Science/* *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -- ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
Be very careful with this article. The method it presents purports to give a correct set of DFT results - both total energy and band gap - with a prescription for constructing a finite-sized basis set. The explicit contradiction with the concept of the complete basis set limit should be cause for skepticism at the least. peace, Sam On 12/08/2016 08:11 AM, Osama Yassin wrote: Dear Colleague I came across the article: *Understanding density functional theory (DFT) and completing it in practice. **It may be of interest for develpers and users of DFT.* http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 The article is open for free. Best wishes *_Osama _* *Prof Dr Osama Ali Yassin * */Professor of Solid State Physics and former ICTP regular associate/* */Department of Physics, Faculty of Science/* *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- Samuel B. Trickey QTP, Depts. of Physics and Chemistry 2324 Physics Building Box 118435 Univ. of Florida Gainesville, FL 32611-8435 Vox: 352-392-6978 (direct) Vox: 352-392-1597 (receptionist) Fax: 352-392-8722 http://www.qtp.ufl.edu/ofdft http://users.clas.ufl.edu/trickey ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
Dear Colleague I came across the article: *Understanding density functional theory (DFT) and completing it in practice. **It may be of interest for develpers and users of DFT.* http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 The article is open for free. Best wishes *Osama * *Prof Dr Osama Ali Yassin * *Professor of Solid State Physics and former ICTP regular associate* *Department of Physics, Faculty of Science* *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
