2000•Progress in theoretical chemistry and physicsRequires access

Excited States in Metal Oxides by Configuration Interaction and Multireference Perturbation Theory

Carmen Sousa, Coen de Graaf, Francesc Illas, Gianfranco Pacchioni

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Key concepts: Multireference configuration interaction, Configuration interaction, Complete active space, Full configuration interaction, Excited state, Coupled cluster, Electronic correlation, Perturbation theory (quantum mechanics)