Dalton (program)

Dalton (program)

Dalton (named after John Dalton) is an ab initio quantum chemistry software program. It is capable of calculating various molecular properties using the Hartree–Fock, MP2, MCSCF and coupled cluster theories. Version 2.0 of DALTON added support for density functional theory calculations. There are many authors, including Trygve Helgaker and Kenneth Ruud.

See also

  • Quantum chemistry software
  • Centre for Theoretical and Computational Chemistry

External links