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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials

Bag om Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials

A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals.

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  • Sprog:
  • Engelsk
  • ISBN:
  • 9783540616450
  • Indbinding:
  • Paperback
  • Sideantal:
  • 332
  • Udgivet:
  • 18. november 1996
  • Udgave:
  • 1996
  • Størrelse:
  • 234x156x18 mm.
  • Vægt:
  • 1070 g.
  • 8-11 hverdage.
  • 17. januar 2025

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Beskrivelse af Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials

A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals.

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