Phase transitions for N-electron atoms at the large-dimension limit

Pablo Serra, Sabre Kais

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

Symmetry breaking of electronic structure configurations for N-electron atoms in weak magnetic and electric fields at the large-dimension limit is described in terms of standard phase transitions. This symmetry breaking, which leads to ionization, is completely analogous to phase transitions and critical phenomena in statistical mechanics. This analogy is shown by allowing the nuclear charge to play a role analogous to temperature in statistical mechanics. For the exact solution of N-electron atoms at the large-dimension limit, the symmetry breaking is shown to be a first-order phase transition. For the special case of two-electron atoms, the first-order transition shows a triple point where three phases with different symmetry coexist. Treatment of the Hartree-Fock solution reveals a different kind of symmetry breaking where second-order phase transitions exist for N = 2. We show that Hartree-Fock two-electron atoms in a weak external electric field exhibit a critical point with mean field critical exponents (β= 1/20, α==0dis, δ=3, and γ=1).

Original languageEnglish
Pages (from-to)238-247
Number of pages10
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume55
Issue number1
Publication statusPublished - 1 Dec 1997
Externally publishedYes

Fingerprint

N electrons
broken symmetry
atoms
statistical mechanics
electric fields
critical point
electrons
exponents
electronic structure
ionization
symmetry
configurations
magnetic fields

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Phase transitions for N-electron atoms at the large-dimension limit. / Serra, Pablo; Kais, Sabre.

In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 55, No. 1, 01.12.1997, p. 238-247.

Research output: Contribution to journalArticle

@article{6dc6a5344f904add91c1093b34342e4c,
title = "Phase transitions for N-electron atoms at the large-dimension limit",
abstract = "Symmetry breaking of electronic structure configurations for N-electron atoms in weak magnetic and electric fields at the large-dimension limit is described in terms of standard phase transitions. This symmetry breaking, which leads to ionization, is completely analogous to phase transitions and critical phenomena in statistical mechanics. This analogy is shown by allowing the nuclear charge to play a role analogous to temperature in statistical mechanics. For the exact solution of N-electron atoms at the large-dimension limit, the symmetry breaking is shown to be a first-order phase transition. For the special case of two-electron atoms, the first-order transition shows a triple point where three phases with different symmetry coexist. Treatment of the Hartree-Fock solution reveals a different kind of symmetry breaking where second-order phase transitions exist for N = 2. We show that Hartree-Fock two-electron atoms in a weak external electric field exhibit a critical point with mean field critical exponents (β= 1/20, α==0dis, δ=3, and γ=1).",
author = "Pablo Serra and Sabre Kais",
year = "1997",
month = "12",
day = "1",
language = "English",
volume = "55",
pages = "238--247",
journal = "Physical Review A - Atomic, Molecular, and Optical Physics",
issn = "1050-2947",
publisher = "American Physical Society",
number = "1",

}

TY - JOUR

T1 - Phase transitions for N-electron atoms at the large-dimension limit

AU - Serra, Pablo

AU - Kais, Sabre

PY - 1997/12/1

Y1 - 1997/12/1

N2 - Symmetry breaking of electronic structure configurations for N-electron atoms in weak magnetic and electric fields at the large-dimension limit is described in terms of standard phase transitions. This symmetry breaking, which leads to ionization, is completely analogous to phase transitions and critical phenomena in statistical mechanics. This analogy is shown by allowing the nuclear charge to play a role analogous to temperature in statistical mechanics. For the exact solution of N-electron atoms at the large-dimension limit, the symmetry breaking is shown to be a first-order phase transition. For the special case of two-electron atoms, the first-order transition shows a triple point where three phases with different symmetry coexist. Treatment of the Hartree-Fock solution reveals a different kind of symmetry breaking where second-order phase transitions exist for N = 2. We show that Hartree-Fock two-electron atoms in a weak external electric field exhibit a critical point with mean field critical exponents (β= 1/20, α==0dis, δ=3, and γ=1).

AB - Symmetry breaking of electronic structure configurations for N-electron atoms in weak magnetic and electric fields at the large-dimension limit is described in terms of standard phase transitions. This symmetry breaking, which leads to ionization, is completely analogous to phase transitions and critical phenomena in statistical mechanics. This analogy is shown by allowing the nuclear charge to play a role analogous to temperature in statistical mechanics. For the exact solution of N-electron atoms at the large-dimension limit, the symmetry breaking is shown to be a first-order phase transition. For the special case of two-electron atoms, the first-order transition shows a triple point where three phases with different symmetry coexist. Treatment of the Hartree-Fock solution reveals a different kind of symmetry breaking where second-order phase transitions exist for N = 2. We show that Hartree-Fock two-electron atoms in a weak external electric field exhibit a critical point with mean field critical exponents (β= 1/20, α==0dis, δ=3, and γ=1).

UR - http://www.scopus.com/inward/record.url?scp=4243427253&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=4243427253&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:4243427253

VL - 55

SP - 238

EP - 247

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

SN - 1050-2947

IS - 1

ER -