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Showing 1 to 1 of 1 for “"gamma approximation"”.
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Vibrational many-body methods for molecules and extended systems
… size-extensive fashion. We also presented the $\Gamma$ approximation for extended systems, which amounts to including only in-phase phonons throughout the generation of PES and solution of the vibrational Schr\""{o}dinger equation. We computed the frequencies of the infrared- and/or Raman-active …