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20192026
most citedBlock2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

116 citations · 331 across the 22 of their papers we have counts for

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cond-mat.str-el2019★ 70 cited

Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory

Tianyu Zhu, Zhi-Hao Cui, Garnet Kin-Lic Chan

We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined f…