Quantum chemical predictions of electron affinities towards a genuine multireference coupled cluster theory
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A number of DFT and coupled cluster methods has been employed to accurately predict the energy di erences of interest - electron a nities, and excitation energies of few molecular systems. Namely, the long carbon chains HCnH and their anions - possible carriers of di use interstellar bands; controversial chloro- uoride; and nickel carbonyl - often studied example of metal-carbonyl bonding. The problems associated with the proper description of negative ions are discussed. Exact algebraic equations of new coupled cluster approach for energy di erences are formulated.