DescriptionAb initio calculated energy profiles of CuF3 in the ground and lowest excited states as a function of the angle F-Cu-F.png
English: Ab initio calculated energy profiles of CuF3 in the ground and lowest excited states as a function of the angle F-Cu-F, typical for this class of electronic e2 configurations, showing the formation of two equilibrium geometries by the PJTE on two excited states, one of which is undistorted, but magnetic, the other being distorted, but nonmagnetic
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