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Chemical Bonding: From Plane Waves Via Atomic Orbitals

Original price was: ₹6596.00.Current price is: ₹4947.00.

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AuthorDronskowski, Richard
ISBN9783111166537
Published LanguageEnglish
Publication Year2023
PublisherDe Gruyter
BindingPaperback
Original Price€69.95
Pages172
Ships By7-8 days
SKU: DG-1308 Categories: ,

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 also for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials.

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Author

,

ISBN

Published Language

Publication Year

Publisher

Binding

Original Price

Pages

172

Ships By

7-8 days