Biorthogonal projected energies of a Gutzwiller similarity transformed Hamiltonian

We present a method incorporating biorthogonal orbital-optimization, symmetry projection, and double-occupancy screening with a non-unitary similarity transformation generated by the Gutzwiller factor ni↑ni↓, and apply it to the Hubbard model. Energies are calculated with mean-field computational sc...

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Bibliographic Details
Published inJournal of physics. Condensed matter Vol. 28; no. 48; p. 485502
Main Authors Wahlen-Strothman, J M, Scuseria, G E
Format Journal Article
LanguageEnglish
Published England IOP Publishing 07.12.2016
Subjects
Gutzwiller similarity transformation
Hubbard model
symmetry projection
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Summary:We present a method incorporating biorthogonal orbital-optimization, symmetry projection, and double-occupancy screening with a non-unitary similarity transformation generated by the Gutzwiller factor ni↑ni↓, and apply it to the Hubbard model. Energies are calculated with mean-field computational scaling with high-quality results comparable to coupled cluster singles and doubles. This builds on previous work performing similarity transformations with more general, two-body Jastrow-style correlators. The theory is tested on 2D lattices ranging from small systems into the thermodynamic limit and is compared to available reference data.
Bibliography:JPCM-107368.R3
ObjectType-Article-1
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ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/28/48/485502