Multiplet ligand-field theory using Wannier orbitals
نویسندگان
چکیده
منابع مشابه
Multiplet ligand-field theory using Wannier orbitals
Many electronic properties of solids can now be described ab initio, thanks to the advent of powerful computers and the development of ingenious methods, such as density-functional theory (DFT) with local density (LDA) or generalized gradient (GGA) approximations, LDA+HubbardU (LDA+U), quantum chemical methods, dynamic mean-field theory, quantum Monte-Carlo simulations, and exact diagonalizatio...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.85.165113