by Kieron Burke and Lucas O. Wagner
Abstract:
The purpose of this short essay is to introduce students and other newcomers to the basic ideas and uses of modern electronic density functional theory, including what kinds of approximations are in current use, and how well they work (or not). The complete newcomer should find it orients them well, while even longtime users and aficionados might find something new outside their area. Important questions varying in difficulty and effort are posed in the text, and are answered in the Supporting Information.
Reference:
DFT in a nutshell Kieron Burke and Lucas O. Wagner, Int. J. Quant. Chem. 113, 96-101 (2013).
Bibtex Entry:
@article{BW13,
Pub-num = {136},
Abstract = {The purpose of this short essay is to introduce students and other newcomers to the basic ideas and uses of modern electronic density functional theory, including what kinds of approximations are in current use, and how well they work (or not). The complete newcomer should find it orients them well, while even longtime users and aficionados might find something new outside their area. Important questions varying in difficulty and effort are posed in the text, and are answered in the Supporting Information.},
Author = {Kieron Burke and Lucas O. Wagner},
Date-Modified = {2013-02-12 00:16:04 +0000},
Doi = {10.1002/qua.24259},
Journal = {Int. J. Quant. Chem.},
Month = {01/2013},
Pages = {96-101},
Title = {DFT in a nutshell},
Url = {http://dx.doi.org/10.1002/qua.24259},
Volume = {113},
Year = {2013},
Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.24259},
keywords = {DFTrev}
}