Development and Application of the Path-Integral Renormalization Group Method

Jaime Merino, A. Levy Yeyati

T. Mizusaki, Masatoshi Imada

Wasanthi De Silva, Rudolf Torsten Clay

昌久 古賀, Akihisa Koga

Masatoshi Imada

Path‐integral renormalization‐group (PIRG) method is a rapidly developing tool for computing ground state properties of interacting quantum systems on lattices, particularly models for strongly correlated electrons such as the Hubbard model. It has served in clarifying phase diagrams of the Hubbard model containing quantum spin liquid phase. PIRG has also been implemented as a low‐energy solver of the effective Hamiltonian for realistic systems. This makes it possible to construct a scheme of first‐principles calculation by the hybrid approach combined with the density functional theory.

Yoshiki Imai, Yuichi Otsuka, Masatoshi Imada

The path-integral renormalization group method is an efficient tool for computing electronic structure of strongly correlated electron systems. Combined with the conventional density functional approaches as a hybrid scheme, it offers a first-principles method for complex materials with involved electron correlation effects. We assess the efficiency and applicability of the hybrid scheme by examining applications to Sr(2)VO(4) and YVO(3).