Comparison between GW and Wave-Function-Based Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard Chains.


We calculate the ionization potential and electron affinity of 1D Hubbard chains with a variety of different site energies from two perspectives: (i) the physics-based GW approximation and (ii) the chemistry-based configuration interaction (CI) approach. Results obtained from all methods are compared against the exact values for three classes of systems… (More)
DOI: 10.1021/acs.jpca.6b03294


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