Spin-Free Quantum Chemistry

  • Ruben Pauncz


In the treatment given so far we have started with the spin functions and outlined the different methods for their construction. In the second step we have built up the total electronic wave function out of spatial functions and spin eigenfunctions in such a way that it satisfies the antisymmetry principle. So far we have used spin-free Hamiltonians and we observed that the final expressions of the expectation values of the Hamiltonian contain integrals of the Hamiltonian over the spatial functions and the matrix elements of permutations over the spin functions.


Irreducible Representation Symmetric Group Group Algebra Spatial Function Invariance Group 
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Copyright information

© Plenum Press, New York 1979

Authors and Affiliations

  • Ruben Pauncz
    • 1
  1. 1.Technion-Israel Institute of TechnologyHaifaIsrael

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