Mean field phase diagrams for one-electron molecules

Pablo Serra, Sabre Kais

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

We describe a simple model for symmetry breaking of electronic structure configurations of one-electron systems. This model involves generalizing the problem to D-dimensional space and finding the solution at D → ∞, a semiclassical limit which can be solved exactly. The large-D limit model reduces the problem to a variational calculation which is equivalent to mean-field theories of critical phenomena in statistical mechanics. We show that symmetry breaking of electronic structure configurations can be described as standard phase transitions. Rich phase diagrams with multicritical points are reported for both linear and planar one-electron systems.

Original languageEnglish
Pages (from-to)1483-1493
Number of pages11
JournalJournal of Physics A: Mathematical and General
Volume30
Issue number5
DOIs
Publication statusPublished - 7 Mar 1997
Externally publishedYes

Fingerprint

Mean Field
Phase Diagram
Phase diagrams
phase diagrams
Molecules
Electronic Structure
Electron
Symmetry Breaking
Electronic structure
Electrons
broken symmetry
electronic structure
molecules
Mean field theory
Configuration
Statistical mechanics
electrons
Critical Phenomena
Semiclassical Limit
Mean-field Theory

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Statistical and Nonlinear Physics
  • Mathematical Physics

Cite this

Mean field phase diagrams for one-electron molecules. / Serra, Pablo; Kais, Sabre.

In: Journal of Physics A: Mathematical and General, Vol. 30, No. 5, 07.03.1997, p. 1483-1493.

Research output: Contribution to journalArticle

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