Occupation of an interacting localized electron level

ID: occupation-of-an-interacting-localized-electron-level

A localized orbital with two electron spin states has energies , and . Its zero-temperature equilibrium occupation minimizes , where is the chemical potential. For repulsion , the occupation is successively as crosses and . For attraction , the singly occupied state is never the minimum: the occupation jumps from to at . Exactly at a crossing the ground-state occupation is not unique.
At positive temperature, its grand canonical partition function is , where . The expected value of the occupation follows by differentiating: . The factor two counts the two singly occupied microstates, not an additional pair state.

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