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Get Similarity Transformed Equation Of Motion Method (steom). - Scienide2 Uwaterloo

MBPT 2 calculation of the so-called parent state, then you calculate ionization potentials and/or electron affinities using the IP-EOM and EA-EOM methods. This information is used to define a doubly transformed Hamiltonian that can be diagonalized. The final diagonalization in STEOM is trivial, and you can ask for as many states as you want. Both singlets and triplet states can be calculated. Three types of STEOM calculations are possible: EE-STEOM: One calculates excited states of the parent.

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