English

Model-mapped RPA for determining the effective Coulomb interaction

Materials Science 2017-04-26 v2 Strongly Correlated Electrons Superconductivity

Abstract

We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is determined based on the random phase approximation (RPA). In contrast to previous methods such as projected RPA or constrained RPA, the new method takes into account the long-range part of the polarization effect when determining the interaction in the model. After we discuss problems in previous RPA methods, we will give the formulation of the new method, and show how it works for the single-band Hubbard model of HgBa2_2CuO4_4.

Keywords

Cite

@article{arxiv.1607.08336,
  title  = {Model-mapped RPA for determining the effective Coulomb interaction},
  author = {Hirofumi Sakakibara and Seung Woo Jang and Hiori Kino and Myung Joon Han and Kazuhiko Kuroki and Takao Kotani},
  journal= {arXiv preprint arXiv:1607.08336},
  year   = {2017}
}

Comments

6 pages

R2 v1 2026-06-22T15:06:19.649Z