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pro vyhledávání: '"Entwistle, M"'
Publikováno v:
Phys. Rev. B 103, 125155 (2021)
The exact exchange-correlation (xc) kernel $f_\mathrm{xc}(x,x',\omega)$ of linear response time-dependent density functional theory is computed over a wide range of frequencies, for three canonical one-dimensional finite systems. Methods used to ensu
Externí odkaz:
http://arxiv.org/abs/2101.12207
In the context of inhomogeneous one-dimensional finite systems, recent numerical advances [Phys. Rev. B 103, 125155 (2021)2469-995010.1103/PhysRevB.103.125155] allow us to compute the exact coupling-constant dependent exchange-correlation kernel fxc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::c8d43a2189382841ce48a8016f368d9f
https://eprints.whiterose.ac.uk/179016/1/2107.14434.pdf
https://eprints.whiterose.ac.uk/179016/1/2107.14434.pdf
Publikováno v:
Nature Communications; 1/17/2023, Vol. 14 Issue 1, p1-11, 11p
Publikováno v:
In International Journal of Obstetric Anesthesia June 2021 46 Supplement 1
Autor:
Entwistle, M. T., Godby, R. W.
We present a simple geometrical "fluidic" approximation to the nonadiabatic part of the Kohn-Sham potential, vKS, of time-dependent density-functional theory (DFT). This part of vKS is often crucial, but most practical functionals utilize an adiabati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::cf81dc7f23ce826cb9d3d51503202bcc
https://eprints.whiterose.ac.uk/160118/1/Paper_101_Entwistle_fluidic.pdf
https://eprints.whiterose.ac.uk/160118/1/Paper_101_Entwistle_fluidic.pdf
Akademický článek
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Autor:
Ramnarayan, P, Evans, R, Draper, ES, Seaton, SE, Wray, J, Morris, S, Pagel, C, Polke, E, Mouncey, P, Lundy, R, Entwistle, M, Pearce, A, Davies, P, Rajah, F, Marriage, W, Ray, S, O'Neill, L, Abaleke, E, Leonard, Y, Tomas, AL, Belfield, H, Scarpa, G, Revanna, S, Dowd, L, Menzies, J, Winmill, H, Griffiths, B, Wellman, P, Crae, T, Grainger, D, Jennings, C, Marshall, R, Phatak, R, Lenthall, S, Ludbrook, E, Mayer, A, Davis, P, Baptiste, K, Mogan, S, Kashyap, A, Mackerness, C, Manning, D, Pittilla, L, Crate, L, Sandhu, K, Barry, P, Patel, R, Jones, G, Etherington, N, Gale, H, Mellish, C, Inwald, D, Darnell, S, Lang, S, Ali, L, Deep, A, Anand, A, Adebayo, D, Bansal, M, Pathan, N, White, D, Daubney, E, Aramburo, A, Gemar, L, TousSampol, L, Sampaio, HF, Shetty, N, Walsh, L, Jones, D, Alexander, J, Obhrai, E, Riches, V, Lumsden, J, Clarke, J, Prince, N, Maccacari, E, Gomes, J, Edmonds, N, Crone, B, Khalid, N, Khatun, H, Murray, T, Sarfatti, A, Howell, N, Oruganti, S, Turner, RT, Poynter, R, Bowes, S
Publikováno v:
BMJ Open
IntroductionFollowing centralisation of UK paediatric intensive care, specialist retrieval teams were established who travel to general hospitals to stabilise and transport sick children to regional paediatric intensive care units (PICUs). There is n
Autor:
Entwistle, M. T., Godby, R. W.
For two prototype systems, we calculate the exact exchange-correlation kernels fxc(x,x′,ω) of time-dependent density functional theory. fxc, the key quantity for optical absorption spectra of electronic systems, is normally subject to uncontrolled
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::d27a77ace459875cd2cea2516ed64efd
https://eprints.whiterose.ac.uk/145368/1/Paper_100_Entwistle_fxc.pdf
https://eprints.whiterose.ac.uk/145368/1/Paper_100_Entwistle_fxc.pdf
Akademický článek
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A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced a set of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::6a25ea251dc0a52a185e7c3d683edb6d
https://eprints.whiterose.ac.uk/133079/1/Paper_98_Entwistle_LDA2.pdf
https://eprints.whiterose.ac.uk/133079/1/Paper_98_Entwistle_LDA2.pdf