I will discuss salient features of the spin-flip approach [1] to strong correlation and describe different methods that sprung from this idea. The spin-flip treatment exploits the different physics of low-spin and high-spin states and is based on the observation that correlation is small for same-spin electrons. By using a well-behaved high-spin state as a reference, one can access problematic low-spin states by deploying the same formal tools as in the excited-state treatments (i.e., linear response, propagator, or equation-of-motion theories). This strategy can be used within wave function and density functional theory frameworks. The utility of spin-flip methods will be illustrated by examples. Extensions to an arbitrary number of unpaired electrons and possible applications to quantum computing will be discussed

Taming strong correlation by flipping one spin at a time

ACS Fall 2021

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