Journal of the American Chemical Society, Vol.116, No.9, 4091-4092, 1994
Theoretical Determination of Charge-Transfer and Ligand-Field Transition Energies for FeCl4- Using the Eom-CCSD Method
Keywords:COUPLED-CLUSTER APPROACH;MOLECULAR-ORBITAL THEORY;EXCITED-STATES;EXCITATION-ENERGIES;RESPONSE FUNCTIONS;FORMALISM;CO