Electronic Structure of Materials by Ab Initio Methods: Overview
The next set of 12 chapters provides an overview of the new advances since the first edition of the Handbook of Materials Modeling in 2015 regarding the description of the ground-state and excite-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.
We acknowledge financial support from the European Union’s Horizon 2020 research and innovation program under the European Research Council (ERC Advanced Grant Agreement no. 69409). The Flatiron Institute is a division of the Simons Foundation.
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