Hamiltonian Matrix Elements and Overlaps between Atomic Orbital-Based Determinants

2 Hamiltonian Matrix Elements and Overlaps between Atomic Orbital-Based Determinants 

Matrix elements between two different determinants, for example, aabb and ccdd, follow from the equation, 

The Hamiltonian matrix element between the two determinants is then calculated by summing up the energy terms of the third column of Table 3. A.2. 

As before, the overlap between the two determinants can be calculated from their Hamiltonian matrix element, by replacing the h terms by S terms and dividing the result by the number of electrons  

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