Download TURBOMOLE 2016 v7.1

TURBOMOLE is a Quantum Chemistry program and Turbomole is a highly optimized software package for large-scale quantum chemical simulations of molecules, clusters, and periodic solids

TURBOMOLE is a Quantum Chemistry program package and one of the fastest and most stable codes available for quantum chemical simulations (DFT, MP2).

Key features

Apply state-of-the-art quantum chemical methods such as TDDFT, Coupled Cluster, MP2, DFT, …

TURBOMOLE has been developed to provide a fast and stable code to treat molecules for industrial application. With the TUBROMOLE implementation of RI-DFT, one of the fastest DFT methods will be available at your fingertips.

an excellent tool for large systems, and applications of all kinds, e.g. for

  • ground states and excited states, for the evaluation of energies gradients
    structures (minima and transition states) 2nd derivatives (geometry) linear response properties as well as first order properties and spectra such as
  • IR ,Raman UV-VIS, CD, VCD. NMR chemical shifts and coupling constants
    It has outstanding speed and robustness for:
  • DFT and TD-DFT (both with and without RI) (RI-)MP2 and RI-CC2, PNO-CCSD(T)
    SCF (with and without RI) high symmetry (including non-abelian point groups)
    relativistic effects and spin-orbit coupling balanced basis sets: SV[P], TZVP[P], QZVP[P] for elements H-Rn COSMO calculations for solvation effects and as input for COSMOtherm

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