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--- features [2021/05/28 19:13] – agustin_aucar
+++ features [2021/09/17 10:13] – aspg
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   * EOMCC - core excitation and ionization energies via core-valence separation using projectors in RELCC (Avijit Shee, Andre Gomes, Marta Lopez Vidal)
-       * Reference: coming soon
+       * Reference: L. Halbert, M. L. Vidal, A. Shee, S. Coriani, A. S. P. Gomes //Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian//[[https://doi.org/10.1021/acs.jctc.0c01203|J. Chem. Theory Comput. 17 (2021), 3583]]
        * Manual: see keywords under [[http://diracprogram.org/doc/release-19/manual/wave_function/relccsd.html#ccproj|"*CCPROJ"]]
   * Python interface of DIRAC with [[https://github.com/bsenjean/Openfermion-Dirac|Openfermion]] (Bruno Senjean) to perform relativistic quantum chemistry calculations simulated on a quantum computer .