Eye candy

Paramagnetic bonding in lithium hydride in a strong field

The electron density arising from the highest occupied orbital in the triplet state of lithium hydride. The lowest triplet state is unbound at zero field, but becomes bound in a sufficiently strong perpendicular magnetic field. The density is illustrated by isosurfaces, viewed at two different angles (left and right). A perpendicular magnetic field of 0.2 au (or 47,000 tesla) results in the red isosurface and a field of 0.6 au (or 141,000 tesla) results in the green isosurface. A field 0.2 au is not strong enough to make the system bound and the red isosurface corresponds to an sp hybrid orbital. In a stronger field of 0.6 au, the triplet state becomes paramagnetically bound as Li p-1 orbital is mixed into the highest occupied orbital.

Benzene in a non-uniform field

Left: Streamlines and isosurfaces for the current density in a benzene molecule subject to a strong, uniform magnetic field, directed out of the molecular plane. Black dots mark the positions of the carbon and hydrogen atoms. Right: Streamlines and isosurfaces for a benzene molecule in a strong, non-uniform magnetic field, with a constant curl directed out of the molecular plane.

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