Please note: In order to keep Hive up to date and provide users with the best features, we are no longer able to fully support Internet Explorer. The site is still available to you, however some sections of the site may appear broken. We would encourage you to move to a more modern browser like Firefox, Edge or Chrome in order to experience the site fully.

Methods of Electronic-Structure Calculations : From Molecules to Solids, Paperback / softback Book

Methods of Electronic-Structure Calculations : From Molecules to Solids Paperback / softback

Part of the Wiley Series in Theoretical Chemistry series

Paperback / softback

Description

Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years.

Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations.

This title bridges that gap, focusing equally on both types of method, including density-functional and Hartree-Fock-based approaches.

The book is aimed at final-year undergraduate and postgraduate students of both chemistry and of physics.

It describes in detail the fundamentals behind the various methods that are used in calculating electronic properties of materials, and that to some extent are commercially available.

It should also be of interest to professional scientists working in related theoretical or experimental fields.

Information

Information