Chemical Bonding: From Plane Waves Via Atomic Orbitals
by Chemical Bonding: From Plane Waves Via Atomic Orbitals
$55.74
Description
Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials
The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training
Product Details
- De Gruyter Brand
- Oct 4, 2023 Pub Date:
- 3111166538 ISBN-10:
- 9783111166537 ISBN-13:
- 186.0 pages Perfect Paperback
- English Language
- 10 in * 0.5 in * 7 in Dimensions:
- 1 lb Weight:
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