1.
J Phys Condens Matter
; 28(48): 485502, 2016 12 07.
Artigo
em Inglês
| MEDLINE
| ID: mdl-27705960
RESUMO
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 [Formula: see text], 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.