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Handbook of Computational Quantum Chemistry

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This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

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  • Sprog:
  • Engelsk
  • ISBN:
  • 9780486443072
  • Indbinding:
  • Paperback
  • Sideantal:
  • 832
  • Udgivet:
  • 29. juli 2005
  • Størrelse:
  • 138x214x43 mm.
  • Vægt:
  • 850 g.
  • Ukendt - mangler pt..

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This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

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