DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
Andrew Michael Teale
(1)
,
Trygve Helgaker
(2)
,
Andreas Savin
(3)
,
Carlo Adano
(4)
,
Bálint Aradi
(5)
,
Alexei Arbuznikov
(6)
,
Paul Ayers
(7)
,
Evert Jan Baerends
(8)
,
Vincenzo Barone
(9)
,
Patrizia Calaminici
(10)
,
Eric Cances
(11)
,
Emily Ann Carter
(12)
,
Pratim Chattaraj
(13)
,
Henry Chermette
(14)
,
Ilaria Ciofini
(4)
,
T. Daniel Crawford
(15)
,
Frank de Proft
(16)
,
John Dobson
(17)
,
Claudia Draxl
(18, 19)
,
Thomas Frauenheim
(5, 20)
,
Emmanuel Fromager
(21)
,
Patricio Fuentealba
(22)
,
Laura Gagliardi
(23)
,
Giulia Galli
(23)
,
Jiali Gao
(24, 25)
,
Paul Geerlings
(16)
,
Nikitas Gidopoulos
(26)
,
Peter Gill
(27)
,
Paola Gori-Giorgi
(8)
,
Andreas Görling
(28)
,
Tim Gould
(17)
,
Stefan Grimme
(29)
,
Oleg Gritsenko
(8)
,
Hans Jørgen Aagaard Jensen
(28)
,
Erin Johnson
(30)
,
Robert Jones
(31)
,
Martin Kaupp
(6)
,
Andreas Koster
(10)
,
Leeor Kronik
(32)
,
Anna Krylov
(33)
,
Simen Kvaal
(2)
,
Andre Laestadius
(2)
,
Melvyn Levy
(34)
,
Mathieu Lewin
(35, 36)
,
Sb Liu
(37)
,
Pierre-Francois Loos
(38, 39)
,
Neepa Maitra
(40)
,
Frank Neese
(41)
,
John Perdew
(42)
,
Katarzyna Pernal
(43)
,
Pascal Pernot
(44)
,
P. Piecuch
(45)
,
Elisa Rebolini
(46)
,
Lucia Reining
(47, 48)
,
Pina Romaniello
(49, 50)
,
Adrienn Ruzsinszky
(42)
,
Dennis Salahub
(51)
,
Matthias Scheffler
(18)
,
Peter Schwerdtfeger
(52)
,
Viktor Staroverov
(53)
,
Jianwei Sun
(34)
,
Erik Tellgren
(2)
,
David Tozer
(26)
,
Samuel Trickey
(54)
,
Carsten Ullrich
(55)
,
Alberto Vela
(10)
,
Giovanni Vignale
(55)
,
Tomasz Adam Wesolowski
(56)
,
Xin Xu
(57)
,
Weitao Yang
(58)
1
UON -
University of Nottingham, UK
2 UiO - University of Oslo
3 LCT - Laboratoire de chimie théorique
4 iCLeHS - Institute of Chemistry for Life and Health Sciences
5 Universität Bremen [Deutschland] = University of Bremen [Germany] = Université de Brême [Allemagne]
6 TUB - Technical University of Berlin / Technische Universität Berlin
7 McMaster University [Hamilton, Ontario]
8 VU - Vrije Universiteit Amsterdam [Amsterdam]
9 SNS - Scuola Normale Superiore di Pisa
10 CINVESTAV - Centro de Investigacion y de Estudios Avanzados del Instituto Politécnico Nacional
11 CERMICS - Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique
12 Princeton University
13 IIT Kharagpur - Indian Institute of Technology Kharagpur
14 ISA - Institut des Sciences Analytiques
15 Virginia Tech [Blacksburg]
16 VUB - Vrije Universiteit Brussel [Bruxelles]
17 Griffith University [Brisbane]
18 HU Berlin - Humboldt-Universität zu Berlin = Humboldt University of Berlin = Université Humboldt de Berlin
19 FHI - Fritz-Haber-Institut der Max-Planck-Gesellschaft
20 CSRC - Beijing Computational Science Research Center [Beijing]
21 LCQS - Laboratoire de Chimie Quantique de Strasbourg
22 UCHILE - Universidad de Chile = University of Chile [Santiago]
23 University of Chicago
24 Shenzhen Bay Laboratory, Institute of Chemical Biology, Shenzhen 518132, Chin
25 UMN - University of Minnesota [Twin Cities]
26 Durham University
27 The University of Sydney
28 FAU - Friedrich-Alexander Universität Erlangen-Nürnberg = University of Erlangen-Nuremberg
29 Universität Bonn = University of Bonn
30 Dalhousie University [Halifax]
31 PGI - Peter Grünberg Institut
32 Weizmann Institute of Science [Rehovot, Israël]
33 USC - University of Southern California
34 Tulane University
35 Université Paris Dauphine-PSL
36 CEREMADE - CEntre de REcherches en MAthématiques de la DEcision
37 UNC - University of North Carolina [Chapel Hill]
38 GMO - Groupe THEO (LCPQ)
39 LCPQ - Laboratoire de Chimie et Physique Quantiques
40 Rutgers University [Newark]
41 Max-Planck-Institut für Kohlenforschung (Coal Research)
42 Temple University [Philadelphia]
43 Łódź University of Technology
44 ICP - Institut de Chimie Physique
45 Michigan State University [East Lansing]
46 ILL - Institut Laue-Langevin
47 ETSF - European Theoretical Spectroscopy Facility
48 LSI - Laboratoire des Solides Irradiés - Irradiated Solids Laboratory
49 AGR-LPT - Agrégats (LPT)
50 LPT - Laboratoire de Physique Théorique
51 University of Calgary
52 Massey University
53 UWO - University of Western Ontario
54 UF - University of Florida [Gainesville]
55 Mizzou - University of Missouri [Columbia]
56 UNIGE - Université de Genève = University of Geneva
57 Fudan University [Shanghai]
58 Duke University [Durham]
2 UiO - University of Oslo
3 LCT - Laboratoire de chimie théorique
4 iCLeHS - Institute of Chemistry for Life and Health Sciences
5 Universität Bremen [Deutschland] = University of Bremen [Germany] = Université de Brême [Allemagne]
6 TUB - Technical University of Berlin / Technische Universität Berlin
7 McMaster University [Hamilton, Ontario]
8 VU - Vrije Universiteit Amsterdam [Amsterdam]
9 SNS - Scuola Normale Superiore di Pisa
10 CINVESTAV - Centro de Investigacion y de Estudios Avanzados del Instituto Politécnico Nacional
11 CERMICS - Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique
12 Princeton University
13 IIT Kharagpur - Indian Institute of Technology Kharagpur
14 ISA - Institut des Sciences Analytiques
15 Virginia Tech [Blacksburg]
16 VUB - Vrije Universiteit Brussel [Bruxelles]
17 Griffith University [Brisbane]
18 HU Berlin - Humboldt-Universität zu Berlin = Humboldt University of Berlin = Université Humboldt de Berlin
19 FHI - Fritz-Haber-Institut der Max-Planck-Gesellschaft
20 CSRC - Beijing Computational Science Research Center [Beijing]
21 LCQS - Laboratoire de Chimie Quantique de Strasbourg
22 UCHILE - Universidad de Chile = University of Chile [Santiago]
23 University of Chicago
24 Shenzhen Bay Laboratory, Institute of Chemical Biology, Shenzhen 518132, Chin
25 UMN - University of Minnesota [Twin Cities]
26 Durham University
27 The University of Sydney
28 FAU - Friedrich-Alexander Universität Erlangen-Nürnberg = University of Erlangen-Nuremberg
29 Universität Bonn = University of Bonn
30 Dalhousie University [Halifax]
31 PGI - Peter Grünberg Institut
32 Weizmann Institute of Science [Rehovot, Israël]
33 USC - University of Southern California
34 Tulane University
35 Université Paris Dauphine-PSL
36 CEREMADE - CEntre de REcherches en MAthématiques de la DEcision
37 UNC - University of North Carolina [Chapel Hill]
38 GMO - Groupe THEO (LCPQ)
39 LCPQ - Laboratoire de Chimie et Physique Quantiques
40 Rutgers University [Newark]
41 Max-Planck-Institut für Kohlenforschung (Coal Research)
42 Temple University [Philadelphia]
43 Łódź University of Technology
44 ICP - Institut de Chimie Physique
45 Michigan State University [East Lansing]
46 ILL - Institut Laue-Langevin
47 ETSF - European Theoretical Spectroscopy Facility
48 LSI - Laboratoire des Solides Irradiés - Irradiated Solids Laboratory
49 AGR-LPT - Agrégats (LPT)
50 LPT - Laboratoire de Physique Théorique
51 University of Calgary
52 Massey University
53 UWO - University of Western Ontario
54 UF - University of Florida [Gainesville]
55 Mizzou - University of Missouri [Columbia]
56 UNIGE - Université de Genève = University of Geneva
57 Fudan University [Shanghai]
58 Duke University [Durham]
Ilaria Ciofini
- Fonction : Auteur
- PersonId : 761990
- ORCID : 0000-0002-5391-4522
- IdRef : 151186812
Emmanuel Fromager
- Fonction : Auteur
- PersonId : 1121895
- IdHAL : emmanuel-fromager
- ORCID : 0000-0002-1099-4913
- IdRef : 095322027
Mathieu Lewin
- Fonction : Auteur
- PersonId : 1466
- IdHAL : mlewin
- ORCID : 0000-0002-1755-0207
- IdRef : 086357875
Pierre-Francois Loos
- Fonction : Auteur
- PersonId : 20919
- IdHAL : pierre-francois-loos
- ORCID : 0000-0003-0598-7425
- IdRef : 129057843
Neepa Maitra
- Fonction : Auteur
- PersonId : 1312033
- ORCID : 0000-0002-1840-8827
Pascal Pernot
- Fonction : Auteur
- PersonId : 7648
- IdHAL : pascal-pernot
- ORCID : 0000-0001-8586-6222
- IdRef : 057114021
Pina Romaniello
- Fonction : Auteur
- PersonId : 738905
- IdHAL : pina-romaniello
- ORCID : 0000-0001-8300-8320
- IdRef : 192722581
Résumé
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...
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