Density of Avoided Crossings and Diabatic Representation
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DOI: 10.3390/e25050751
Abstract: Electronic structure theory describes the properties of solids using Bloch states that correspond to highly symmetrical nuclear configurations. However, nuclear thermal motion destroys translation symmetry. Here, we describe two approaches relevant to the time evolution… read more here.
Keywords: time; diabatic representation; avoided crossings; crossings diabatic ... See more keywords