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physics.comp-ph2026
Ab initio quantum embedding at finite temperature with density matrix embedding theory
Laurence Giordano, Y. Stanley Tan, Zhi-Hao Cui +1
We present a finite-temperature extension of density matrix embedding theory (FT-DMET) for realistic crystalline systems. We describe a practical framework for constructing extende…
physics.comp-ph2021★ 4 cited
On the pure state -representability of density matrix embedding theory
Fabian M. Faulstich, Raehyun Kim, Zhi-Hao Cui +3
Density matrix embedding theory (DMET) formally requires the matching of density matrix blocks obtained from high-level and low-level theories, but this is sometimes not achievable…