J. Chem. Phys.
(2016), 144, pp. 204103. is a method to include interactions between an embedded species and its environment into an ADC() calculation based on Frozen Density Embedding Theory (FDET). 1166 J. Phys. Chem.
(1993), 97, pp. 8050. , 1167 Phys. Rev. A
(2008), 77, pp. 012504. FDE-ADC supports ADC and CVS-ADC methods of orders 2s,2x and 3 and regular ADC job control keywords also apply.
The FDE-ADC method starts with generating an embedding potential using a MP() density for the embedded system (A) and a DFT or HF density for the environment (B). A Hartree-Fock calculation is then carried out during which the embedding potential is added to the Fock operator. The embedded Hartree-Fock orbitals act as an input for the subsequent ADC calculation which yields the embedded properties (vertical excitation energies, oscillator strengths, etc.). Further information on the FDE-ADC method and FDE-ADC job control are described in Section 184.108.40.206.