Columbus
... is a collection of programs for high-level ab initio molecular electronic structure calculations (A) [e]
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 (NO) [e]
Dirac Program Package Homepage
Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations (DK) [e]
MOLSCAT
... is a code for quantum mechanical (coupled channel) solution of the nonreactive molecular scattering problem (USA) [e]
PiSystems XTE
The fastest, most reliable and at the same time most user-friendly quantum-chemical program for the calculation of electronic spectra and colours of organic molecules as well as for the support in synthetic science (CH) [d, e]
WATOC
The World Association of Theoretically Oriented Chemists (UK) [e]
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Subject category: Quantum Chemistry
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