Quantum criticality at the infinite complete basis set limit: A thermodynamic analog of the Yang and Lee theorem

Sabre Kais, Craig Wenger, Qi Wei

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Finite size scaling for calculations of the critical parameters of the few-body Schrödinger equation is based on taking the number of elements in a complete basis set as the size of the system. We show in an analogy with Yang and Lee theorem, which states that singularities of the free energy at phase transitions occur only in the thermodynamic limit, that singularities in the ground state energy occur only in the infinite complete basis set limit. To illustrate this analogy in the complex-parameter space, we present calculations for Yukawa type potential, and a Coulomb type potential for two-electron atoms.

Original languageEnglish
Pages (from-to)45-49
Number of pages5
JournalChemical Physics Letters
Volume423
Issue number1-3
DOIs
Publication statusPublished - 20 May 2006
Externally publishedYes

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theorems
Thermodynamics
analogs
thermodynamics
Ground state
Free energy
Phase transitions
free energy
scaling
Atoms
ground state
Electrons
atoms
electrons
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Quantum criticality at the infinite complete basis set limit : A thermodynamic analog of the Yang and Lee theorem. / Kais, Sabre; Wenger, Craig; Wei, Qi.

In: Chemical Physics Letters, Vol. 423, No. 1-3, 20.05.2006, p. 45-49.

Research output: Contribution to journalArticle

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