Density
functional theory along with Kohn-Sham formalism (DFT-KS) works
well for weakly correlated electron systems such as alkali
metals or systems involving atoms belonging to the first or
second row of the periodic table. As a result, DFT-KS and its
variants such as local spin density approximation (LSDA) or the
generalized gradient approximation (GGA) encounter difficulties
when applied to strongly correlated electron systems (SCES),
such as transition metals, high-Tc superconductors (HTCS)
and heavy fermion systems.
Gutzwiller and Hubbard
separately worked on "effect of correlation on the
ferromagnetism of transition metals" and introduced the
well-known Hubbard model (HM). It is believed that HM has the
basic ingredients to describe the Mott transitions, magnetic
transitions, as well as the properties of HTCS.
Lieb and Wu, by employing the
Bethe-ansatz, have been able to obtain exact analytical solution
of the one-dimensional Hubbard model (1DHM). We have studied
their work and tried to develop a similar scheme for 2DHM
suitable for HTCS. However, since at the present time, exact
solutions of 2DHM are not available, we have also reviewed the
dynamical mean field theory (DMFT) and the numerical methods for
solving the equations in this scheme. In this theory an
effective imaginary time action is defined in terms of the bare
Green’s function g0(τ- τ’). g0(τ- τ’)
plays the role of time dependent mean field. The computer code
for DMFT is reproduced. Since, at this stage, through the
mapping of the infinite dimensional HM onto Anderson impurity
model (AIM), the spatial fluctuations of the self-energy are
ignored, we have also considered quantum cluster method and
produced its computer code. Our aim is to use a generalized form
of the HM, employ the necessary modification in our computer
codes, and investigate the properties of HTCS cuprates.
In the mean time, we have
studied the various numerical techniques such as quantum Monte
Carlo method, the exact diagonalization technique and the
non-crossing approximation for our numerical purposes.
Finally, we are studying the
symmetries of the generalized HM, and their relation to s and d
wave superconductivity as well as charge density waves (CDW).
Our group consisting of N.
Nafari, R. Asgari and R. Noorafkan has
been studying the Hubbard model and its application to HTCS.
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