Molecular Orbital Treatment of Many-Electron Systems

APPENDIX A-MOLECULAR ORBITAL TREATMENT OF MANY-ELECTRON SYSTEMS 

The brief discussion of molecular orbitals given in this chapter is not sufficient background for actually applying the molecular orbital method in studies of molecular forces. This appendix supplies additional advanced material which will allow the reader to compare our VB examples to reasonable MO treatments. 

The MO wave function for 2n electrons in n molecular orbitals is given by the following Slater determinant  

The total energy associated with the Slater determinant of eq. (1.70) is given by (see Ref. 2) 

The quantities J and K are called, respectively, the Coulomb and exchange integrals and are given by 

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