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Showing 1 to 1 of 1 for “"Quantum chemistry, vibrational structure"”.
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Diagrammatic many-body methods for anharmonic molecular vibrational properties
… Dyson equation formalism for the single-particle vibrational Green's function and the many-body perturbation theory for the total zero-point energy. Unlike similar methods based on the vibrational self-consistent field (VSCF) approximation, these XVSCF and XVMP2 methods are guaranteed to be …