On the geometry dependence of tuned‐range separated hybrid functionals
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DOI: 10.1002/jcc.25868
Abstract: Molecules and materials that absorb and/or emit light form a central part of our daily lives. Consequently, a description of their excited‐state properties plays a crucial role in designing new molecules and materials with enhanced… read more here.
Keywords: description excited; geometry; range separated; geometry dependence ... See more keywords