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Chemical Bonding
- From Plane Waves via Atomic Orbitals
Engelsk Paperback
Chemical Bonding
- From Plane Waves via Atomic Orbitals
Engelsk Paperback

723 kr
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Om denne bog

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 detaljer
Sprog:
Engelsk
Sider:
186
ISBN-13:
9783111166537
Indbinding:
Paperback
Udgave:
ISBN-10:
3111166538
Udg. Dato:
4 okt 2023
Længde:
13mm
Bredde:
244mm
Højde:
177mm
Forlag:
De Gruyter
Oplagsdato:
4 okt 2023
Forfatter(e):
Kategori sammenhænge