We present a new method of ab-initio electronic-structure calculation including the spin-fluctuation (SF) self-consistently. We start from the Luttinger-Ward functional given as the sum of the LDA functional plus the temperature-dependent part of the SF energy functional. The size of interactions used in it are determined in a similar manner to the self-consistent renormalization theory by Moriya and Kawabata. Obtained paramagnetic susceptibilities on Pd, Ni, Fe, and fcc-Co above Tc show rather good agreements with experiments.
@article{arxiv.cond-mat/0302064,
title = {A method to include the spin-fluctuation in the ab-initio electronic-structure calculation},
author = {Takao Kotani and Hisazumi Akai},
journal= {arXiv preprint arXiv:cond-mat/0302064},
year = {2007}
}