Combining the density functional theory (DFT) and the Gutzwiller variational approach, a LDA+Gutzwiller method is developed to treat the correlated electron systems from {\it ab-initio}. All variational parameters are self-consistently determined from total energy minimization. The method is computationally cheaper, yet the quasi-particle spectrum is well described through kinetic energy renormalization. It can be applied equally to the systems from weakly correlated metals to strongly correlated insulators. The calculated results for SrVO3, Fe, Ni and NiO, show dramatic improvement over LDA and LDA+U.
@article{arxiv.0707.4606,
title = {LDA+Gutzwiller Method for Correlated Electron Systems},
author = {XiaoYu Deng and Xi Dai and Zhong Fang},
journal= {arXiv preprint arXiv:0707.4606},
year = {2009}
}