250 citations · 812 across the 29 of their papers we have counts for
6 papers · 1 filter
Fast emulation of fermionic circuits with matrix product states
Justin Provazza, Klaas Gunst, Huanchen Zhai +4
We describe a matrix product state (MPS) extension for the Fermionic Quantum Emulator (FQE) software library. We discuss the theory behind symmetry adapted matrix product states fo…
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…
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…
An ab initio correction vector restricted active space approach to the L-edge XAS and 2p3d RIXS spectra of transition metal clusters
Seunghoon Lee, Huanchen Zhai, Garnet Kin-Lic Chan
We describe an ab initio approach to simulate L-edge X-ray absorption (XAS) and 2p3d resonant inelastic X-ray scattering (RIXS) spectroscopies. We model the strongly correlated ele…
Multireference protonation energetics of a dimeric model of nitrogenase iron-sulfur clusters
Huanchen Zhai, Seunghoon Lee, Zhi-Hao Cui +3
Characterizing the electronic structure of the iron--sulfur clusters in nitrogenase is necessary to understand their role in the nitrogen fixation process. One challenging task is…
Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions
Ryan V. Mishmash, Tanvi P. Gujarati, Mario Motta +3
The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bas…