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Quantum chemistry

Providing an introduction to quantum chemistry, this book covers quantum mechanics, atomic structure, and molecular electronic structure. It demonstrates the usefulness and limitations of quantum-mechanical methods for the calculation of molecular properties. It is useful for beginning graduate and...

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Bibliographic Details
Main Author: Levine, Ira N.
Format: Book
Language:English
Published: Upper Saddle River, N.J. Prentice Hall 2000
Edition:5th ed.
Subjects:
Quantum chemistry.
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Table of Contents:
  • The Schrödinger equation
  • The particle theory
  • Operators
  • The harmonic oscillator
  • Angular momentum
  • The hydrogen atom
  • Theorems of quantum mechanics
  • The variation method
  • Perturbation theory
  • Electron spin and the Pauli principle
  • Many-electron atoms
  • Molecular symmetry
  • Electronic structure of diatomic molecules
  • The virial theorem and the Hellmann-Feynman theorem
  • Ab initio and density-functional treatments of molecules
  • Semiempirical and molecular-mechanics treatments of molecules
  • Comparisons of methods.

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