Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

E. Räsänen; S. Pittalis; K. Capelle; C. R. Proetto

doi:10.1103/PhysRevLett.102.206406

Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

E. Räsänen
, S. Pittalis
, K. Capelle
, C. R. Proetto

Tutkimustuotos: Artikkeli › Tieteellinen › vertaisarvioitu

37 Sitaatiot (Scopus)

Abstrakti

Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasione dimensions. From the properties of the electron gas in the dilute regime, the tightest estimate to date is given for the numerical prefactor of the bound, which is crucial in practical applications. Numerical tests on various low-dimensional systems are in line with the bounds obtained and give evidence of an interesting dimensional crossover between two and one dimensions.

Alkuperäiskieli	Englanti
Artikkeli	206406
Sivumäärä	4
Julkaisu	Physical Review Letters
Vuosikerta	102
Numero	20
DOI - pysyväislinkit	https://doi.org/10.1103/PhysRevLett.102.206406
Tila	Julkaistu - 22 toukok. 2009
Julkaistu ulkoisesti	Kyllä
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Rahoitus

We thank M. Taut for providing us with numerical data of the two-dimensional Hooke's atom and A. Harju for the QMC data. This work was supported by the Deutsche Forschungsgemeinschaft and the EC's 6th FP through the Nanoquanta NoE (NMP4-CT-2004-500198). In addition, E. R. was supported by the Academy of Finland, C. R. P. by EC's Marie Curie IIF (MIF1-CT-2006-040222), and K. C. by FAPESP and CNPq.

Pääsy asiakirjaan

10.1103/PhysRevLett.102.206406

Siteeraa tätä

@article{dbc1864bb28c4a29856c8d4e7e086a68,

title = "Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions",

abstract = "Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasione dimensions. From the properties of the electron gas in the dilute regime, the tightest estimate to date is given for the numerical prefactor of the bound, which is crucial in practical applications. Numerical tests on various low-dimensional systems are in line with the bounds obtained and give evidence of an interesting dimensional crossover between two and one dimensions.",

keywords = "GENERALIZED GRADIENT APPROXIMATION, DENSITY-FUNCTIONAL THEORY, QUANTUM DOTS, OCTOPUS, TOOL",

author = "E. R{\"a}s{\"a}nen and S. Pittalis and K. Capelle and Proetto, \{C. R.\}",

year = "2009",

month = may,

day = "22",

doi = "10.1103/PhysRevLett.102.206406",

language = "English",

volume = "102",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "20",

}

TY - JOUR

T1 - Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

AU - Räsänen, E.

AU - Pittalis, S.

AU - Capelle, K.

AU - Proetto, C. R.

PY - 2009/5/22

Y1 - 2009/5/22

N2 - Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasione dimensions. From the properties of the electron gas in the dilute regime, the tightest estimate to date is given for the numerical prefactor of the bound, which is crucial in practical applications. Numerical tests on various low-dimensional systems are in line with the bounds obtained and give evidence of an interesting dimensional crossover between two and one dimensions.

AB - Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasione dimensions. From the properties of the electron gas in the dilute regime, the tightest estimate to date is given for the numerical prefactor of the bound, which is crucial in practical applications. Numerical tests on various low-dimensional systems are in line with the bounds obtained and give evidence of an interesting dimensional crossover between two and one dimensions.

KW - GENERALIZED GRADIENT APPROXIMATION

KW - DENSITY-FUNCTIONAL THEORY

KW - QUANTUM DOTS

KW - OCTOPUS

KW - TOOL

U2 - 10.1103/PhysRevLett.102.206406

DO - 10.1103/PhysRevLett.102.206406

M3 - Article

SN - 0031-9007

VL - 102

JO - Physical Review Letters

JF - Physical Review Letters

IS - 20

M1 - 206406

ER -

Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

Abstrakti

Rahoitus

Pääsy asiakirjaan

Sormenjälki

Siteeraa tätä