Page 308 - Strategies and Applications in Quantum Chemistry From Molecular Astrophysics to Molecular Engineer

COUPLED HARTREE-FOCK APPROACH 291

In the above formulae the projected (11) and (22) components of the density matrices
are obtained from the series

First- and second-order Fock Hamiltonians are given analogous expressions. The
density corrections are given by

All of these formulae apply to the case of orthonormal basis sets [7]: correspond-
ing expressions for the general case of metric are easily obtained via similarity
transformations, see, for instance, (70).