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Computational Aspects for Large Chemical Systems - E. Clementi - Bog

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As examples of quantum chemical approximations we mention the total or partial neglects of electron correlation, the neglect of relativistic effects, the use of subminimal basis sets, the still present neglect of inner-core electrons in semi-empirical methods, the acceptance of the Born-Oppenheimer approximations, and so on.

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  • Sprog:
  • Engelsk
  • ISBN:
  • 9783540100140
  • Indbinding:
  • Paperback
  • Sideantal:
  • 184
  • Udgivet:
  • 1. Juli 1980
  • Udgave:
  • 11980
  • Størrelse:
  • 244x170x10 mm.
  • Vægt:
  • 349 g.
  • 2-3 uger.
  • 18. Juli 2024

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Beskrivelse af Computational Aspects for Large Chemical Systems

As examples of quantum chemical approximations we mention the total or partial neglects of electron correlation, the neglect of relativistic effects, the use of subminimal basis sets, the still present neglect of inner-core electrons in semi-empirical methods, the acceptance of the Born-Oppenheimer approximations, and so on.

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