|
Title
|
|
|
|
The exchange-correlation potential of DFT obtained from a semiempirically fine-tuned Hartree-Fock density for inhomogeneous electron liquids
| |
|
Author
|
|
|
|
| |
|
Abstract
|
|
|
|
| The present authors have given an exact theory of the exchange-correlation potential V-xc(r) in terms of (i) the exact ground-state electron density n(r) and (ii) the idempotent Dirac density matrix gamma(r,r') generated by the DFT one-body potential V(r), having n(r) as its diagonal element. Here, we display two approximate consequences: (a) a form of V-xc(r) generated by the semiempirically fine-tuned HF density of Cordero et al. (N.A. Cordero, N.H. March, and J.A. Alonso, Phys. Rev. A 75, 052502 (2007)) and (b) the exchange-only potential V-x(r) determined solely by the HF ground state density for the Be atom. |
| |
|
Language
|
|
|
|
English
| |
|
Source (journal)
|
|
|
|
Physics and chemistry of liquids. - London
| |
|
Publication
|
|
|
|
London
:
2012
| |
|
ISSN
|
|
|
|
0031-9104
| |
|
DOI
|
|
|
|
10.1080/00319104.2011.563360
| |
|
Volume/pages
|
|
|
|
50
:1
(2012)
, p. 128-130
| |
|
ISI
|
|
|
|
000302318900012
| |
|
Full text (Publisher's DOI)
|
|
|
|
| |
|