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Erratum: DFT in a nutshell
Author(s) -
Burke Kieron,
Wagner Lucas O.
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24411
Subject(s) - column (typography) , sentence , notation , section (typography) , table (database) , computer science , information retrieval , mathematics , arithmetic , data mining , artificial intelligence , telecommunications , frame (networking) , operating system
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. VC 2012 Wiley Periodicals, Inc.