1.2k citations · 2.1k across the 18 of their papers we have counts for
18 papers
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…
Benchmarking the Exponential Ansatz for the Holstein model
Junjie Yang, Zhi-Hao Cui, Ankit Mahajan +3
Polarons are quasiparticles formed as a result of lattice distortions induced by charge carriers. The single-electron Holstein model captures the fundamentals of single polaron phy…
Towards an exact electronic quantum many-body treatment of Kondo correlation in magnetic impurities
Tianyu Zhu, Linqing Peng, Huanchen Zhai +3
The Kondo effect is a prototypical quantum phenomenon arising from the interaction between localized electrons in a magnetic impurity and itinerant electrons in a metallic host. Al…
Block2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
Huanchen Zhai, Henrik R. Larsson, Seunghoon Lee +10
Block2 is an open source framework to implement and perform density matrix renormalization group and matrix product state algorithms. Out-of-the-box it supports the eigenstate, tim…
Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry
Zhi-Hao Cui, Arkajit Mandal, David R. Reichman
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to d…
Ab initio quantum many-body description of superconducting trends in the cuprates
Zhi-Hao Cui, Junjie Yang, Johannes Tölle +9
Using a systematic ab initio quantum many-body approach that goes beyond low-energy models, we directly compute the superconducting pairing order and estimate the pairing gap of se…