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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

...CQEDSimulator is a framework that provides all basic mathematical elements and methods to perform quantum numerical simulations. It's crossplatform, that works on Windows, Linux, Mac...