Articles with "theory materials" as a keyword



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Coupled Cluster Theory in Materials Science

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Published in 2019 at "Frontiers in Materials"

DOI: 10.3389/fmats.2019.00123

Abstract: In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the connection… read more here.

Keywords: materials science; coupled cluster; theory materials; cluster theory ... See more keywords