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Chemical Bonding From Plane Waves Via Atomic Orbitals Richard Dronskowski

Name: Chemical Bonding From Plane Waves Via Atomic Orbitals Richard Dronskowski
SKU: BELL-53150516
Price: 31.00 USD
Availability: InStock
Rating: 5 (68 reviews)

SKU: BELL-53150516

$ 31.00 ~~$ 45.00~~ (-31%)

5.0

68 reviews

Chemical Bonding From Plane Waves Via Atomic Orbitals Richard Dronskowski instant download after payment.

Publisher: de Gruyter

File Extension: PDF

File size: 95.28 MB

Pages: 186

Author: Richard Dronskowski

ISBN: 9783111166537, 3111166538

Language: English

Year: 2023

Product desciption

Chemical Bonding From Plane Waves Via Atomic Orbitals Richard Dronskowski by Richard Dronskowski 9783111166537, 3111166538 instant download after payment.

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