Applications of path-integral renormalization group method combined with 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).
Journal of Physics Condensed Matter•Aug 24, 2007•5 citations