Packages

• Gaussian

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  Industry-standard electronic structure package for quantum chemical calculations.

  Explore Gaussian

• GAMESS

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  General Atomic and Molecular Electronic Structure System for ab initio methods.

  Explore GAMESS

• ORCA

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  Modern, efficient quantum chemistry program for spectroscopy and reactivity studies.

  Explore ORCA

• MCTDH

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  Multi-Configuration Time-Dependent Hartree method for quantum dynamics simulations.

  Explore MCTDH

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