Electronic Structure of Materials by Ab Initio Methods: Overview

Rubio, A.

doi:10.1007/978-3-319-42913-7_90-3

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Electronic Structure of Materials by Ab Initio Methods: Overview

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Rubio, A.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Computational Quantum Physics (CCQ), The Flatiron Institute;

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https://dx.doi.org/10.1007/978-3-319-42913-7_90-3
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Citation

Rubio, A. (2019). Electronic Structure of Materials by Ab Initio Methods: Overview. In W. Andreoni (Ed.), Handbook of Materials Modeling (pp. 1-6). Springer. doi:10.1007/978-3-319-42913-7_90-3.

Cite as: https://hdl.handle.net/21.11116/0000-0009-8710-C

Abstract

The next set of 12 chapters provides an overview of the new advances since the first edition of the Handbook of Materials Modeling in 2005 regarding the description of the ground-state and excited-state electronic structure of complex many-body systems by ab initio electronic structure methods. In this section we present contributions aiming to providing an up-to-date description and illustration of the main theoretical methods used by the electronic structure community for the study of problems of actual materials, of prediction of properties, and for the design of novel materials.