Spin-density functionals from current-density functional theory and vice versa: A road towards new approximations

K. Capelle; E. K.U. Gross

doi:10.1103/PhysRevLett.78.1872

Spin-density functionals from current-density functional theory and vice versa: A road towards new approximations

K. Capelle, E. K.U. Gross

Research output: Contribution to journal › Article › peer-review

78 Scopus citations

Abstract

It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional.

Original language	American English
Pages (from-to)	1872-1875
Number of pages	4
Journal	Physical Review Letters
Volume	78
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevLett.78.1872
State	Published - 1997
Externally published	Yes

Access to Document

10.1103/PhysRevLett.78.1872

Cite this

@article{d0f51040d5b54d5a9c09f2af494b30ec,

title = "Spin-density functionals from current-density functional theory and vice versa: A road towards new approximations",

abstract = "It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional.",

author = "K. Capelle and Gross, {E. K.U.}",

year = "1997",

doi = "10.1103/PhysRevLett.78.1872",

language = "American English",

volume = "78",

pages = "1872--1875",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "10",

}

TY - JOUR

T1 - Spin-density functionals from current-density functional theory and vice versa

T2 - A road towards new approximations

AU - Capelle, K.

AU - Gross, E. K.U.

PY - 1997

Y1 - 1997

N2 - It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional.

AB - It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional.

UR - http://www.scopus.com/inward/record.url?scp=4243667796&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.78.1872

DO - 10.1103/PhysRevLett.78.1872

M3 - Article

AN - SCOPUS:4243667796

SN - 0031-9007

VL - 78

SP - 1872

EP - 1875

JO - Physical Review Letters

JF - Physical Review Letters

IS - 10

ER -

Spin-density functionals from current-density functional theory and vice versa: A road towards new approximations

Abstract

Access to Document

Other files and links

Fingerprint

Cite this