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  • User manual
    • Building an eT input file
    • Calculation tutorials

User manual¶

See the readme for information on how to obtain and install eT.

  • How to use the setup script
  • How to use the launch script

Building an eT input file¶

  • Anatomy of an input file
  • Required input sections
  • List of all sections and keywords
  • List of basis sets

Calculation tutorials¶

  • Hartree-Fock calculation
  • Time-dependent Hartree-Fock response calculation
  • Time-dependent Hartree-Fock excited states calculation
  • Multilevel Hartree-Fock calculation
  • Coupled cluster calculation
  • Multilevel coupled cluster calculation
  • Time-dependent coupled cluster calculation
  • Restarting calculations
  • Visualizing orbitals and densities
  • QED-HF calculation

A large collection of sample inputs can also be found in the subfolders of the tests folder of the root directory of eT.

Contact:

support@etprogram.org

Affiliations:

Norwegian University of Science and Technology

Scuola Normale Superiore

Technical University of Denmark

Copyright

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