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First‐principles approaches for strongly correlated materials: A theoretical chemistry perspective
Author(s) -
Jiang Hong
Publication year - 2015
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24905
Subject(s) - perspective (graphical) , management science , theoretical physics , nanotechnology , chemistry , physics , computer science , materials science , engineering , artificial intelligence
First‐principles treatment of strongly correlated systems is currently regarded as one of greatest challenges in theoretical chemistry and condensed matter physics. While great efforts have been invested to extend current electronic structure theories to treat strong correlation, there is also increasing interest in combining first‐principles approaches with model Hamiltonians to take advantage of the best of the two theoretical frameworks. This short review aims at giving an overview of first‐principles approaches that are currently used for strongly correlated materials, and remarking on their underlying physical ideas and theoretical limitations. © 2015 Wiley Periodicals, Inc.