Description

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.

Quantum-Chemical Calculation of Unique Molecular Systems, Two-Volume Set

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Hardback by Vladimir A. Babkin , Gennady Efremovich Zaikov

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The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the... Read more

    Publisher: Apple Academic Press Inc.
    Publication Date: 25/02/2014
    ISBN13: 9781926895758, 978-1926895758
    ISBN10: 1926895754

    Number of Pages: 674

    Non Fiction , Technology, Engineering & Agriculture , Education

    Description

    The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.

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