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Showing 1 to 1 of 1 for “"vibrational configuration-interaction (VCI)"”.
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Vibrational many-body methods for molecules and extended systems
"Vibrational many-body methods for molecules and extended systems have been developed that can account for the effects of anharmonicity in the potential energy surfaces (PESs) on energies and other observable properties. For molecules, we present a general scheme to calculate anharmonic vibrational …