Maximum probability domains for Hubbard models

被引：8

作者：

Acke, Guillaume ^{[1
]}

De Baerdemacker, Stijn ^{[1
,2
]}

Claeys, Pieter W. ^{[2
]}

Van Raemdonck, Mario ^{[1
]}

Poelmans, Ward ^{[2
]}

Van Neck, Dimitri ^{[2
]}

Bultinck, Patrick ^{[1
]}

机构：

[1] Univ Ghent, Dept Inorgan & Phys Chem, B-9000 Ghent, Belgium

[2] Univ Ghent, Ctr Mol Modeling, Zwijnaarde, Belgium

来源：

MOLECULAR PHYSICS | 2016年 / 114卷 / 7-8期

关键词：

Maximum probability domains; Hubbard model; generating function; Hubbard benzene; Hubbard 1,3,5-hexatriene; MOLECULAR WAVE-FUNCTIONS; CHEMICAL-BONDS; REAL-SPACE; POPULATION ANALYSIS; QUANTUM-THEORY; LOCALIZATION; ELECTRONS; PAIR; REPRESENTATIONS; LOCALIZABILITY;

D O I：

10.1080/00268976.2016.1153742

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The theory of maximum probability domains (MPDs) is formulated for the Hubbard model in terms of projection operators and generating functions for both exact eigenstates as well as Slater determinants. A fast MPD analysis procedure is proposed, which is subsequently used to analyse numerical results for the Hubbard model. It is shown that the essential physics behind the considered Hubbard models can be exposed using MPDs. Furthermore, the MPDs appear to be in line with what is expected from Valence Bond (VB) Theory-based knowledge.

引用

页码：1392 / 1405

页数：14

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