Methods of Electronic-Structure Calculations: From Molecules by Michael Springborg

By Michael Springborg

Equipment of Electronic-Structure Calculations From Molecules to Solids Michael Springborg division of Chemistry, college of Konstanz, Germany Electronic-structure calculations of the houses of particular fabrics became more and more very important over the past 30 years. even though a number of books at the topic were released, it truly is infrequent to discover one who covers intimately either the normal quantum chemistry and the solid-state physics tools of electronic-structure calculations. This name bridges that hole, focusing both on either different types of procedure, together with density-functional and Hartree-Fock-based methods. The publication is aimed toward final-year undergraduate and postgraduate scholars of either chemistry and of physics. It describes intimately the basics in the back of some of the tools which are utilized in calculating digital houses of fabrics, and that to a point are commercially on hand. it may even be of curiosity to specialist scientists operating in similar theoretical or experimental fields.

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