New measure of electron correlation

We propose to quantify the correlation inherent in a many-electron (or many-fermion) wave function psi by comparing it to the unique uncorrelated state that has the same 1-particle density operator as does /|psi>

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Bibliographische Detailangaben
Veröffentlicht in:	Physical review letters 2005-09, Vol.95 (12), p.123003.1-123003.4, Article 123003
Hauptverfasser:	GOTTLIEB, Alex D, MAUSER, Norbert J
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Corrections to electronic structure Electron correlation calculations for atoms and molecules Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
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Beschreibung
Zusammenfassung:	We propose to quantify the correlation inherent in a many-electron (or many-fermion) wave function psi by comparing it to the unique uncorrelated state that has the same 1-particle density operator as does /\|psi>
ISSN:	0031-9007 1079-7114
DOI:	10.1103/PhysRevLett.95.123003