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Authors
Sakakibara, Hirofumi Department of Applied Mathematics and Physics, Tottori University / Computational Condensed Matter Physics Laboratory, RIKEN Researchers DB KAKEN
Jang, Seung Woo Department of Physics, Korea Advanced Institute of Science and Technology (KAIST)
Kino, Hiori National Institute for Materials Science
Han, Myung Joon Department of Physics, Korea Advanced Institute of Science and Technology (KAIST)
Kuroki, Kazuhiko Department of Physics, Osaka University
Kotani, Takao Department of Applied Mathematics and Physics, Tottori University Researchers DB KAKEN
Abstract
We present a new method to obtain a model Hamiltonian from first-principles calculations. The effective interaction contained in the model is determined on the basis of random phase approximation (RPA). In contrast to previous methods such as projected RPA and constrained RPA (cRPA), the new method named “model-mapped RPA” takes into account the long-range part of the polarization effect to determine the effective interaction in the model. After discussing the problems of cRPA, we present the formulation of the model-mapped RPA, together with a numerical test for the single-band Hubbard model of HgBa2CuO4.
Publisher
The Physical Society of Japan
Content Type
Journal Article
Link
ISSN・ISBN
00319015
NCID
AA11509785
Journal Title
Journal of the Physical Society of Japan
Volume
86
Issue
4
Start Page
044714
Published Date
2017-03-31
Publisher-DOI
Text Version
Author
Rights
© 2017 The Physical Society of Japan (J. Phys. Soc. Jpn. 86, 044714.)
Citation
H. Sakakibara, S.W. Jang, H. Kino, M.J. Han, K. Kuroki, T. Kotani. Model-mapped RPA for determining the effective Coulomb interaction. Journal of the Physical Society of Japan. 2017, 86(4), 044714
Department
Faculty of Engineering/Graduate School of Engineering
Language
English