Maximum probability domains for Hubbard models

Autor: Patrick Bultinck, Dimitri Van Neck, Ward Poelmans, Guillaume Acke, Stijn De Baerdemacker, Mario Van Raemdonck, Pieter W. Claeys
Jazyk: angličtina
Rok vydání: 2016
Předmět:
Hubbard model
Biophysics
Hubbard benzene
FOS: Physical sciences
010402 general chemistry
01 natural sciences
Projection (linear algebra)
5-hexatriene
Condensed Matter - Strongly Correlated Electrons
MOLECULAR WAVE-FUNCTIONS
PAIR
Physics - Chemical Physics
0103 physical sciences
Statistical physics
Physical and Theoretical Chemistry
Molecular Biology
Eigenvalues and eigenvectors
Mathematics
Chemical Physics (physics.chem-ph)
Condensed Matter::Quantum Gases
010304 chemical physics
Strongly Correlated Electrons (cond-mat.str-el)
Hubbard 1
LOCALIZATION
CHEMICAL-BONDS
Condensed Matter Physics
0104 chemical sciences
ELECTRONS
REPRESENTATIONS
Physics and Astronomy
generating function
Line (geometry)
Maximum probability domains
LOCALIZABILITY
Slater determinant
Valence bond theory
Condensed Matter::Strongly Correlated Electrons
REAL-SPACE
QUANTUM-THEORY
POPULATION ANALYSIS
Zdroj: MOLECULAR PHYSICS
ISSN: 0026-8976
Popis: 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.
Databáze: OpenAIRE
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