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Cagliari-Orsay model for anharmonic molecular spectra in 2nd order PT
Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances).
Repository moving to https://github.com/cmendl/fermifab !
A quantum physics toolbox for small fermionic systems. Keywords: quantum mechanics, reduced density matrices, Slater determinants, second quantization, creation and annihilation operators