Reviews of Modern Physics· 2012Q1· Review

Maximally localized Wannier functions: Theory and applications

Nicola Marzari, Arash A. Mostofi, Jonathan R. Yates, Ivo Souza et al.

3,292citations
Q1SCImago
2012year

Short summary

This review details methods for transforming extended Bloch orbitals into unique, maximally localized Wannier functions, analogous to chemical Boys orbitals, enabling a more intuitive understanding of electronic structure.

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Field: Atomic and Molecular Physics, and Optics

Atomic and Molecular Physics, and OpticsPhysics and Astronomy