Ab Initio Methods

Chapter

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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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  • Kaoru Ohno
    • 1
  • Keivan Esfarjani
    • 2
  • Yoshiyuki Kawazoe
    • 3
  1. 1.Department of PhysicsYokohama National UniversityYokohamaJapan
  2. 2.Department of Mechanical and Aerospace Engineering, Materials Science and Engineering and PhysicsUniversity of VirginiaCharlottesvilleUSA
  3. 3.New Industry Creation Hatchery CenterTohoku UniversitySendaiJapan

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