New density-functional approximations and beyond: general discussion

Jan Gerit Brandenburg; Kieron Burke; Antonio Cancio; Jannis Erhard; Emmanuel Fromager; Abhisek Ghosal; Nikitas Gidopoulos; Paola Gori-Giorgi; Trygve Helgaker; Ben Hourahine; Christoph R Jacob; Derk Kooi; Neepa Maitra; Manasi R Mulay; Katarzyna Pernal; Aurora Pribram-Jones; Lucia Reining; Pina Romaniello; Matthew R Ryder; Andreas Savin; Chris-Kriton Skylaris; Andrew M Teale; David Tozer; Donald G Truhlar; Weitao Yang

doi:10.1039/D0FD90023K

New density-functional approximations and beyond: general discussion

Jan Gerit Brandenburg, Kieron Burke, Antonio Cancio, Jannis Erhard, Emmanuel Fromager, Abhisek Ghosal, Nikitas Gidopoulos, Paola Gori-Giorgi, Trygve Helgaker, Ben Hourahine, Christoph R Jacob, Derk Kooi, Neepa Maitra, Manasi R Mulay, Katarzyna Pernal, Aurora Pribram-Jones, Lucia Reining, Pina Romaniello, Matthew R Ryder, Andreas SavinChris-Kriton Skylaris, Andrew M Teale, David Tozer, Donald G Truhlar, Weitao Yang

Physics

Research output: Contribution to journal › Comment/debate › peer-review

1 Citation (Scopus)

Original language	English
Pages (from-to)	166-200
Number of pages	35
Journal	Faraday Discussions
Volume	224
Early online date	24 Nov 2020
DOIs	https://doi.org/10.1039/D0FD90023K
Publication status	Published - 1 Dec 2020

Keywords

physical density
orbitals
electron density

Access to Document

10.1039/D0FD90023K

Cite this

Brandenburg, J. G., Burke, K., Cancio, A., Erhard, J., Fromager, E., Ghosal, A., Gidopoulos, N., Gori-Giorgi, P., Helgaker, T., Hourahine, B., Jacob, C. R., Kooi, D., Maitra, N., Mulay, M. R., Pernal, K., Pribram-Jones, A., Reining, L., Romaniello, P., Ryder, M. R., ... Yang, W. (2020). New density-functional approximations and beyond: general discussion. Faraday Discussions, 224, 166-200. https://doi.org/10.1039/D0FD90023K

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title = "New density-functional approximations and beyond: general discussion",

keywords = "physical density, orbitals, electron density",

author = "Brandenburg, {Jan Gerit} and Kieron Burke and Antonio Cancio and Jannis Erhard and Emmanuel Fromager and Abhisek Ghosal and Nikitas Gidopoulos and Paola Gori-Giorgi and Trygve Helgaker and Ben Hourahine and Jacob, {Christoph R} and Derk Kooi and Neepa Maitra and Mulay, {Manasi R} and Katarzyna Pernal and Aurora Pribram-Jones and Lucia Reining and Pina Romaniello and Ryder, {Matthew R} and Andreas Savin and Chris-Kriton Skylaris and Teale, {Andrew M} and David Tozer and Truhlar, {Donald G} and Weitao Yang",

year = "2020",

month = dec,

day = "1",

doi = "10.1039/D0FD90023K",

language = "English",

volume = "224",

pages = "166--200",

journal = "Faraday Discussions",

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Brandenburg, JG, Burke, K, Cancio, A, Erhard, J, Fromager, E, Ghosal, A, Gidopoulos, N, Gori-Giorgi, P, Helgaker, T, Hourahine, B, Jacob, CR, Kooi, D, Maitra, N, Mulay, MR, Pernal, K, Pribram-Jones, A, Reining, L, Romaniello, P, Ryder, MR, Savin, A, Skylaris, C-K, Teale, AM, Tozer, D, Truhlar, DG & Yang, W 2020, 'New density-functional approximations and beyond: general discussion', Faraday Discussions, vol. 224, pp. 166-200. https://doi.org/10.1039/D0FD90023K

TY - JOUR

T1 - New density-functional approximations and beyond

T2 - general discussion

AU - Brandenburg, Jan Gerit

AU - Burke, Kieron

AU - Cancio, Antonio

AU - Erhard, Jannis

AU - Fromager, Emmanuel

AU - Ghosal, Abhisek

AU - Gidopoulos, Nikitas

AU - Gori-Giorgi, Paola

AU - Helgaker, Trygve

AU - Hourahine, Ben

AU - Jacob, Christoph R

AU - Kooi, Derk

AU - Maitra, Neepa

AU - Mulay, Manasi R

AU - Pernal, Katarzyna

AU - Pribram-Jones, Aurora

AU - Reining, Lucia

AU - Romaniello, Pina

AU - Ryder, Matthew R

AU - Savin, Andreas

AU - Skylaris, Chris-Kriton

AU - Teale, Andrew M

AU - Tozer, David

AU - Truhlar, Donald G

AU - Yang, Weitao

PY - 2020/12/1

Y1 - 2020/12/1

KW - physical density

KW - orbitals

KW - electron density

U2 - 10.1039/D0FD90023K

DO - 10.1039/D0FD90023K

M3 - Comment/debate

SN - 1359-6640

VL - 224

SP - 166

EP - 200

JO - Faraday Discussions

JF - Faraday Discussions

ER -