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Adiabatic connections and properties of coupling-integrated exchange-correlation holes and pair densities in density functional theory

Pistol, Mats-Erik LU and Almbladh, Carl-Olof LU (2009) In Chemical Physics Letters 480(1-3). p.136-139
Abstract
We demonstrate a method that likely will improve the accuracy of functionals used in density functional theory and pair density functional theory. In deriving the method we show that the coupling-integrated exchange-correlation hole used in density functional theory obeys all the N-representability conditions as non-integrated holes and we give two such conditions, not normally used by the density functional theory community. We will also show that in addition to the normal adiabatic connection there exist a dual adiabatic connection where the kinetic energy is integrated over the inverse electron mass. (C) 2009 Elsevier B.V. All rights reserved.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Physics Letters
volume
480
issue
1-3
pages
136 - 139
publisher
Elsevier
external identifiers
  • wos:000270083100028
  • scopus:70349186832
ISSN
0009-2614
DOI
10.1016/j.cplett.2009.08.047
language
English
LU publication?
yes
id
5007b3dd-20a7-4608-82fe-06f77b9d9e8b (old id 1490138)
date added to LUP
2009-10-19 15:43:06
date last changed
2017-01-01 05:40:50
@article{5007b3dd-20a7-4608-82fe-06f77b9d9e8b,
  abstract     = {We demonstrate a method that likely will improve the accuracy of functionals used in density functional theory and pair density functional theory. In deriving the method we show that the coupling-integrated exchange-correlation hole used in density functional theory obeys all the N-representability conditions as non-integrated holes and we give two such conditions, not normally used by the density functional theory community. We will also show that in addition to the normal adiabatic connection there exist a dual adiabatic connection where the kinetic energy is integrated over the inverse electron mass. (C) 2009 Elsevier B.V. All rights reserved.},
  author       = {Pistol, Mats-Erik and Almbladh, Carl-Olof},
  issn         = {0009-2614},
  language     = {eng},
  number       = {1-3},
  pages        = {136--139},
  publisher    = {Elsevier},
  series       = {Chemical Physics Letters},
  title        = {Adiabatic connections and properties of coupling-integrated exchange-correlation holes and pair densities in density functional theory},
  url          = {http://dx.doi.org/10.1016/j.cplett.2009.08.047},
  volume       = {480},
  year         = {2009},
}