Re: [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice

Yes... we have to be careful about it as well as others when we need to think positively. All the best to all... On 8 Dec 2016 5:24 p.m., "Sam Trickey" wrote: > Be very careful with this article. The method it presents purports to > give a correct set of DFT results - both total energy and ban

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/

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 fo

[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 *