Sequential double excitations from linear-response time-dependent density functional theory.

Abstract

Traditional UV/vis and X-ray spectroscopies focus mainly on the study of excitations starting exclusively from electronic ground states. However there are many experiments where transitions from excited states, both absorption and emission, are probed. In this work we develop a formalism based on linear-response time-dependent density functional theory to… (More)
DOI: 10.1063/1.4950876

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