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 Dalton
  • Dalton
  • Dalton is a powerful molecular electronic structure program, with an extensive functional for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory. For more information, see our manual. 

    Dalton 2.0 was released on March 4 2005. To receive a copy of Dalton 2.0, follow the instructions under Download. Note that users with licences for Dalton 1.x must reregister to obtain a licence for Dalton 2.0.

    Additions to Dalton 2.0 include DFT implemented up to quadratic response theory, for a wide variety of properties such as molecular Hessians and magnetic-resonance parameters. Also available is the NEVPT2 approach for calculating accurate energetics of multireference systems and the explicitly correlated MP2-R12 method.

    At the release of Dalton 2.0 in March 2005, a total of 1208 licenses for Dalton 1.x had been issued.


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