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Ramón Alain Miranda-Quintana and Marco Martínez González Deflation techniques in quantum chemistry: Excited states from ground states International Journal of Quantum Chemistry 113

Article first published online: 12 JUN 2013 | DOI: 10.1002/qua.24486

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Understanding the properties of the excited states of molecular systems is of paramount importance in different fields (e.g., design of photovoltaic devices). However, studying excited states is a challenge greater than studying ground states. This work shows how ground state theoretical techniques can be used to tackle excited state problems. This simplifies the study of excited states, opening a wide range of techniques to analyze them.

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