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Variational wave functions and the Mott transition

1991; American Physical Society; Volume: 43; Issue: 16 Linguagem: Inglês

10.1103/physrevb.43.13770

1095-3795

Andrew J. Millis, S. N. Coppersmith,

Organic and Molecular Conductors Research

We prove that a large class of generalized Gutzwiller wave functions, previously believed to be useful in the study of the Mott metal-insulator transition, are always metallic in the sense that the response to an electric field includes a \ensuremath{\delta} function at zero frequency (corresponding to free acceleration of carriers in a dc field). We also show that modifying these wave functions to enforce binding of empty and doubly occupied sites is insufficient to produce insulating behavior. We derive a criterion which an insulating wave function must satisfy.