Multicomponent density-functional theory for electrons and nuclei

T. Kreibich; E. K.U. Gross

doi:10.1103/PhysRevLett.86.2984

Multicomponent density-functional theory for electrons and nuclei

T. Kreibich^*
, E. K.U. Gross

^*Corresponding author for this work

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

223 Scopus citations

Abstract

A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H₂ molecular ion is illustrated.

Original language	English
Pages (from-to)	2984-2987
Number of pages	4
Journal	Physical Review Letters
Volume	86
Issue number	14
DOIs	https://doi.org/10.1103/PhysRevLett.86.2984
State	Published - 2 Apr 2001
Externally published	Yes

Access to Document

10.1103/PhysRevLett.86.2984

Cite this

@article{a08e7868f3f24b3da7737042eda35fa9,

title = "Multicomponent density-functional theory for electrons and nuclei",

abstract = "A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H2 molecular ion is illustrated.",

author = "T. Kreibich and Gross, \{E. K.U.\}",

year = "2001",

month = apr,

day = "2",

doi = "10.1103/PhysRevLett.86.2984",

language = "אנגלית",

volume = "86",

pages = "2984--2987",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "14",

}

TY - JOUR

T1 - Multicomponent density-functional theory for electrons and nuclei

AU - Kreibich, T.

AU - Gross, E. K.U.

PY - 2001/4/2

Y1 - 2001/4/2

N2 - A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H2 molecular ion is illustrated.

AB - A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H2 molecular ion is illustrated.

UR - https://www.scopus.com/pages/publications/0035794543

U2 - 10.1103/PhysRevLett.86.2984

DO - 10.1103/PhysRevLett.86.2984

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0035794543

SN - 0031-9007

VL - 86

SP - 2984

EP - 2987

JO - Physical Review Letters

JF - Physical Review Letters

IS - 14

ER -

Multicomponent density-functional theory for electrons and nuclei

Abstract

Access to Document

Other files and links

Fingerprint

Cite this