Applications of path-integral renormalization group method combined with density functional theory

作者:Imai Yoshiki; Otsuka Yuichi; Imada Masatoshi
来源:Journal of Physics: Condensed Matter , 2007, 19(36): 365230.
DOI:10.1088/0953-8984/19/36/365230

摘要

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 Sr2VO4 and YVO3.

  • 出版日期2007-9-12