SpinComponents

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SpinComponents

Section States
Type integer
Default unpolarized

The calculations may be done in three different ways: spin-restricted (TD)DFT (i.e., doubly occupied "closed shells"), spin-unrestricted or "spin-polarized" (TD)DFT (i.e. we have two electronic systems, one with spin up and one with spin down), or making use of two-component spinors.

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