TURBOMOLE 7.3 released

TURBOMOLE 7.3 released

Key features of the release at a glance:

  • PNO-CCSD(T)
  • DFT-D4 Grimme dispersion
  • NMR code modernized (RI-DFT, COSMO, meta-GGAs, parallel, ...)
  • GW and Bethe-Salpeter based on dRPA
  • Periodic DFT with larger basis sets
  • two-photon absorption cross sections and hyperpolarizabilities with TDDFT/TDHF
  • X2C gradients for one and two-component DFT
  • Vibronic absorption/emission spectra

 

Please see the release notes for details.

 

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