Description

Book Synopsis

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

Chemical Bonding: From Plane Waves via Atomic

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Order before 4pm today for delivery by Thu 18 Dec 2025.

A Paperback / softback by Richard Dronskowski

15 in stock


    View other formats and editions of Chemical Bonding: From Plane Waves via Atomic by Richard Dronskowski

    Publisher: De Gruyter
    Publication Date: 04/10/2023
    ISBN13: 9783111166537, 978-3111166537
    ISBN10: 3111166538
    Also in:
    Inorganic chemistry Quantum and theoretical chemistry

    Description

    Book Synopsis

    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

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