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Automated Generation of DKH Property Operators

The evaluation of DKH property operators up to any predefined order in the external potential requires a computational scheme, which cannot rely on a direct noniterative numerical method since odd operators have no representation in a truly two-component formalism (which includes the one-component approximation). Only the product of two odd operators may be evaluated. [Pg.592]

Each order of the upper left block of the transformed property operator [Pg.593]


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Operator properties

Property generated

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