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Phys. Rev. B 76, 245113 (2007) [13 pages]

Extended Gutzwiller approximation for inhomogeneous systems

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Wing-Ho Ko, Cody P. Nave*, and Patrick A. Lee
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA

Received 26 September 2007; published 14 December 2007

The generalization of the Gutzwiller approximation to inhomogeneous systems is considered, with extra spin-and-site-dependent fugacity factors included. It is found that the inclusion of fugacity factors reconciles the seemingly contradictory choices of Gutzwiller factors used in the literature. Moreover, from the derivation of the Gutzwiller factors, it is shown that the Gutzwiller approximation breaks the rotational symmetry of the trial wave functions and that different components of the spin-spin interaction need to be renormalized differently under the approximation. Various schemes to restore the rotational symmetry are discussed and are compared with results from variational Monte Carlo calculations for the two-dimensional square-lattice antiferromagnet. Results along different paths within the full parameter space, which correspond to different choices of fugacity factors in the literature, are also compared.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.76.245113
DOI:
10.1103/PhysRevB.76.245113
PACS:
71.27.+a, 71.10.−w

*Present address: Condensed Matter Theory Center, Department of Physics, University of Maryland, College Park, Maryland 20742-4111, USA.