Abstract
Quantum Diesel cycles are numerically realized using the electronic states of a Ni${}_{2}$ dimer. The quantum nature and the complexity of the electronic structure of the Ni${}_{2}$ dimer result in new features in the evolution of the pressure as well as in the heat-work transformation. The multitude of internal degrees of freedom in the isobaric process in molecules can result in crossing of the two adiabatic processes in the P-V diagram. The interplay of heat and work, originating from thermal nonequilibrium effects, can lead to a thermal efficiency of up to $100%$. The spin moment of the Ni${}_{2}$ can be decreased by the isobaric process. To link the molecular heat capacity to easily accessible experimental quantities, we also calculate the Kerr effect and the magnetic susceptibility at different temperatures and magnetic fields.
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