Extending density matrix embedding: A static two-particle theory
نویسندگان
چکیده
We introduce extended density matrix embedding theory (EDMET), a static quantum explicitly self-consistent with respect to local two-body physics. This overcomes the biggest practical and conceptual limitation of more traditional one-body methods, namely lack screening treatment longer-range interactions. algebraic zero-temperature augments interacting cluster model minimal number bosons from description full system correlations via random phase approximation, admits an analytic approach build Coulomb-exchange-correlation kernel. For Hubbard models nonlocal interactions, this leads accurate transitions, quantities, dynamics. also move towards ab initio systems Parriser-Parr-Pople conjugated coronene derivatives, finding good agreement experimental optical gaps.
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ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.104.245114