Using the selected space from SCI as a fixed initiator space in i-FCIQMC allows a variational calculation in a much larger space, and the required walkers are only a small multiple of the selected space size.
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A hybrid approach to extending selected configuration interaction and full configuration interaction quantum Monte Carlo
Using the selected space from SCI as a fixed initiator space in i-FCIQMC allows a variational calculation in a much larger space, and the required walkers are only a small multiple of the selected space size.