Electron localization-delocalization transitions in dissociation of the C 4 - anion

A large-D analysis

Qicun Shi, Sabre Kais, Dudley R. Herschbach

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The critical phenomena associated with electron localization-delocalization transitions along the dissociation path of the C 4 - anion was studied. The symmetrical and nonsymmetrical configurations of the linear C 4 - anion were isoenergetic at the equilibrium geometry. The net potential obtained in the classical limit provided a reliable heuristic model for electronic phase transitions. The model exhibited symmetry breaking analogous to both a first order and a continuous phase transition.

Original languageEnglish
Pages (from-to)2199-2207
Number of pages9
JournalJournal of Chemical Physics
Volume120
Issue number5
Publication statusPublished - 1 Feb 2004
Externally publishedYes

Fingerprint

Electron transitions
Anions
Phase transitions
dissociation
anions
Electrons
electrons
Geometry
broken symmetry
geometry
configurations
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Electron localization-delocalization transitions in dissociation of the C 4 - anion : A large-D analysis. / Shi, Qicun; Kais, Sabre; Herschbach, Dudley R.

In: Journal of Chemical Physics, Vol. 120, No. 5, 01.02.2004, p. 2199-2207.

Research output: Contribution to journalArticle

@article{fb9a825873de45e0b9ddad1e3841f7e3,
title = "Electron localization-delocalization transitions in dissociation of the C 4 - anion: A large-D analysis",
abstract = "The critical phenomena associated with electron localization-delocalization transitions along the dissociation path of the C 4 - anion was studied. The symmetrical and nonsymmetrical configurations of the linear C 4 - anion were isoenergetic at the equilibrium geometry. The net potential obtained in the classical limit provided a reliable heuristic model for electronic phase transitions. The model exhibited symmetry breaking analogous to both a first order and a continuous phase transition.",
author = "Qicun Shi and Sabre Kais and Herschbach, {Dudley R.}",
year = "2004",
month = "2",
day = "1",
language = "English",
volume = "120",
pages = "2199--2207",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "5",

}

TY - JOUR

T1 - Electron localization-delocalization transitions in dissociation of the C 4 - anion

T2 - A large-D analysis

AU - Shi, Qicun

AU - Kais, Sabre

AU - Herschbach, Dudley R.

PY - 2004/2/1

Y1 - 2004/2/1

N2 - The critical phenomena associated with electron localization-delocalization transitions along the dissociation path of the C 4 - anion was studied. The symmetrical and nonsymmetrical configurations of the linear C 4 - anion were isoenergetic at the equilibrium geometry. The net potential obtained in the classical limit provided a reliable heuristic model for electronic phase transitions. The model exhibited symmetry breaking analogous to both a first order and a continuous phase transition.

AB - The critical phenomena associated with electron localization-delocalization transitions along the dissociation path of the C 4 - anion was studied. The symmetrical and nonsymmetrical configurations of the linear C 4 - anion were isoenergetic at the equilibrium geometry. The net potential obtained in the classical limit provided a reliable heuristic model for electronic phase transitions. The model exhibited symmetry breaking analogous to both a first order and a continuous phase transition.

UR - http://www.scopus.com/inward/record.url?scp=1442355587&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=1442355587&partnerID=8YFLogxK

M3 - Article

VL - 120

SP - 2199

EP - 2207

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 5

ER -