GUTZWILLER WAVE-FUNCTION IN THE 3-BAND HUBBARD-MODEL - A VARIATIONAL MONTE-CARLO STUDY

Citation
A. Oguri et al., GUTZWILLER WAVE-FUNCTION IN THE 3-BAND HUBBARD-MODEL - A VARIATIONAL MONTE-CARLO STUDY, Physical review. B, Condensed matter, 49(10), 1994, pp. 6880-6889
Citations number
45
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
49
Issue
10
Year of publication
1994
Pages
6880 - 6889
Database
ISI
SICI code
0163-1829(1994)49:10<6880:GWIT3H>2.0.ZU;2-Y
Abstract
The Gutzwiller wave function for the three-band Hubbard model on a two -dimensional CuO2 plane is studied by using the variational Monte Carl o (VMC) method in the limit U(d) --> infinity, where U(d) is the Coulo mb repulsion between holes on a Cu site. The VMC results for the energ y and the fraction of d holes are compared with those of the Rice-Ueda type Gutzwiller approximation (GA). The difference between the VMC an d the GA results are most pronounced at half-filling, and away from ha lf-filling the two results agree well in both the hole-doped and the e lectron-doped cases. The doping dependence of the momentum distributio n function is also studied.