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Variational computation of anharmonic ground and excited vibrational eigenstates using bound Quartic Force Fields: Application with MCTDH and ElVibRot
In this work we introduce the use of Quartic Force fields (QFF) potential expansions in the context of variational calculations. Such potentials are commonly employed in molecular Vibrational Second-Order Perturbation Theory (VPT2) studies, for which equations explicitly dependent on the QFF paramet
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