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Efficient vibrationally correlated calculations using n-mode expansion-based kinetic energy operators

Frederik Bader1, David Lauvergnat2, Ove Christiansen3

  • 1Department of Chemistry, Aarhus University, DK-8000 Aarhus C, Denmark. f.bader@chem.au.dk.

Physical Chemistry Chemical Physics : PCCP
|March 28, 2024
PubMed

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