.. _qchem:

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Q-Chem
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Q-Chem electronic structure software website: `Q-Chem <https://www.q-chem.com/>`_

`Q-Chem user manual <https://manual.q-chem.com/latest/>`_

Description of the EFP usage in Q-Chem can be found in "Effective Fragment Potential method" section 
of the Q-Chem manual `EFP in Q-Chem <https://manual.q-chem.com/latest/Ch11.S5.SS1.html>`_.

The following functionality is available:

- stand-alone EFP calculations
- QM/EFP models (single-point energy only, polarizable embedding)
  
    - basic HF and DFT
    - coupled cluster and equation-of-motion methods via interface with CCMAN and CCMAN2 (CCSD, EOM-CCSD and various EOM variants (EE, IP, EA, SF etc.)) 
  
        - valence and core exciations
        - two-photon absorpion calculations
    - ADC family of methods
    - CIS and TF-DFT calculations
    - perturbative corrections for electronic excited states due to interaction with polarizable environment
    - pairwise interaction energy decomposition analysis for ground and excited states