Review
Authors
- Andrew Teale
University of Nottingham & University of Oslo ,
- Trygve Helgaker University of Oslo ,
- Andreas Savin Sorbonne University ,
- Carlo Adamo PSL Research University ,
- Balint Aradi University of Bremen ,
- Alexei Arbuznikov Technical University of Berlin ,
- Paul Ayers McMaster University ,
- Evert Jan Baerends Vrije Universiteit Amsterdam ,
- Vincenzo Barone Scuola Normale Superiore ,
- Patrizia Calaminici Departamento de Quimica, Centro de Investigacion y de Estudios Avanzados (Cinvestav) ,
- Eric Cances École des Ponts ParisTech ,
- Emily Carter Princeton University ,
- Pratim Chattaraj Indian Institute of Technology Kharagpur ,
- Henry Chermette Claude Bernard University Lyon 1 ,
- Ilaria Ciofini PSL Research University ,
- Daniel Crawford Virginia Tech ,
- Frank De Proft Vrije Universiteit Brussel ,
- John Dobson Griffith University ,
- Caludia Draxl Humboldt-Universität zu Berlin ,
- Thomas Frauenheim University of Bremen ,
- Emmanuel Fromager Universite de Strasbourg ,
- Patricio Fuentealba University of Chile ,
- Laura Gagliardi University of Chicago ,
- Giulia Galli University of Chicago ,
- Jiali Gao University of Minnesota ,
- Paul Geerlings Vrije Universiteit Brussel ,
- Nikitas Gidopoulous Durham University ,
- Peter Gill University of Sydney ,
- Paola Gori-Giorgi Vrije Universiteit Amsterdam ,
- Andreas Gorling University of Erlangen-Nuremberg ,
- TIm Gould Griffith University ,
- Stefan Grimme University of Bonn ,
- Oleg Gritsenko Vrije Universiteit Amsterdam ,
- Hans Jorgen Jensen University of Southern Denmark ,
- Erin Johnson Dalhousie University ,
- Robert Jones Peter Grunberg Institut ,
- Martin Kaupp Technical University of Berlin ,
- Andreas Koster Departamento de Quimica, Centro de Investigacion y de Estudios Avanzados (Cinvestav) ,
- Leeor Kronik Weizmann Institute of Science ,
- Anna Krylov University of Southern California ,
- Simen Kvaal University of Oslo ,
- Andre Laestadius University of Oslo ,
- Mel Levy Tulane University ,
- Mathieu Lewin PSL Research University ,
- Shubin Liu University of North Carolina at Chapel Hill ,
- Pierre-Francois Loos Université de Toulouse ,
- Neepa Maitra Rutgers, The State University of New Jersey ,
- Frank Neese Max Planck Institut fur Kohlenforschung ,
- John Perdew Temple University ,
- Katarzyna Pernal Lodz University of Technology ,
- Pascal Pernot University of Paris-Saclay ,
- Piotr Piecuch Michigan State University ,
- Elisa Rebolini Institut Laue Langevin ,
- Lucia Reining École Polytechnique ,
- Pina Romaniello Université de Toulouse ,
- Adrienn Ruzsinszky Temple University ,
- Dennis Salahub University of Calgary ,
- Matthias Scheffler The NOMAD Laboratory at FHI, Max Planck Society ,
- Peter Schwerdtfeger Massey University ,
- Vicktor Staroverov University of Western Ontario ,
- Jianwei Sun Tulane University ,
- Erik Tellgren University of Oslo ,
- David Tozer Durham University ,
- Sam Trickey University of Florida ,
- Carsten Ullrich University of Missouri ,
- Alberto Vela Departamento de Quimica, Centro de Investigacion y de Estudios Avanzados (Cinvestav) ,
- Giovanni Vignale University of Missouri ,
- Tomasz Wesolowski University of Geneva ,
- Xin Xu Fudan University ,
- Weitao Yang Duke University
Abstract
In this paper, the history, present status, and future of density-functional theory (DFT) is informally reviewed and discussed by 70 workers in the field, including molecular scientists, materials scientists, method developers and practitioners. The format of the paper is that of a roundtable discussion, in which the participants express and exchange views on DFT in the form of 300 individual contributions, formulated as responses to a preset list of 26 questions. Supported by a bibliography of 776 entries, the paper represents a broad snapshot of DFT, anno 2022.
Content
