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Ab Initio Methods

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Computational Materials Science

Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 129))

Abstract

In fields such as materials science, electronics, mechanical engineering and bioscience, not to mention physics and chemistry, the keywords “first principles” and “ab initio” have been widely used recently. The principal idea of these keywords is to regard many-atom systems as many-body systems composed of electrons and nuclei, and to treat everything on the basis of first principles of quantum mechanics, without introducing any empirical parameters.

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Authors and Affiliations

  1. Institute for Materials Research, Tohoku University, 980-8577, Sendai, Japan

    Prof. Kaoru Ohno, Dr. Keivan Esfarjani & Prof. Yoshiyuki Kawazoe

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  1. Prof. Kaoru Ohno
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  2. Dr. Keivan Esfarjani
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  3. Prof. Yoshiyuki Kawazoe
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© 1999 Springer-Verlag Berlin Heidelberg

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Ohno, K., Esfarjani, K., Kawazoe, Y. (1999). Ab Initio Methods. In: Computational Materials Science. Springer Series in Solid-State Sciences, vol 129. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-59859-3_2

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  • DOI: https://doi.org/10.1007/978-3-642-59859-3_2

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  • Print ISBN: 978-3-642-64155-8

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