Multicritical phenomena for the hydrogen molecule at the large-dimension limit

Pablo Serra, Sabre Kais

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

We show that symmetry breaking of the electronic structure configurations for the Hartree-Fock hydrogen molecule at the large-dimension limit can be described as standard phase transitions. The phase diagram in the internuclear distance-nuclear charge plane shows three different stable phases corresponding to different electronic structure configurations. This phase diagram is characterized by a bicritical point where the two continuous phase transition lines join a first order transition line.

Original languageEnglish
Pages (from-to)302-308
Number of pages7
JournalChemical Physics Letters
Volume260
Issue number1-2
Publication statusPublished - 20 Sep 1996
Externally publishedYes

Fingerprint

Phase diagrams
Electronic structure
Hydrogen
Phase transitions
Molecules
hydrogen
phase diagrams
electronic structure
molecules
configurations
broken symmetry

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Multicritical phenomena for the hydrogen molecule at the large-dimension limit. / Serra, Pablo; Kais, Sabre.

In: Chemical Physics Letters, Vol. 260, No. 1-2, 20.09.1996, p. 302-308.

Research output: Contribution to journalArticle

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