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An augmented optimisation of a previously described (Richings and Karadakov in Mol Phys 105:2363, 2007), variationally stable, Hartree–Fock style excited-state wavefunction is presented. The matrix of second derivatives (Hessian) of the electronic energy with respect to the molecular orbital coefficients is derived, and the matrix elements, necessary for the evaluation of the derivatives, are explicitly...
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