activity
20212026
most citedThe chromium dimer: closing a chapter of quantum chemistry

94 citations · 153 across the 7 of their papers we have counts for

collaborators

7 papers

physics.chem-ph2026★ 1 cited

Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters?

Eirik F. Kjønstad, Huanchen Zhai, James Shee +2

Phaseless auxiliary-field quantum Monte Carlo (AFQMC) has in several cases been found to perform well on strongly correlated systems. Here, we benchmark the method for three iron-s…

physics.chem-ph2026

Coupled-Cluster Imaginary-Time Evolution and the Coupled-Cluster Energy Variance

Yuhang Ai, Huanchen Zhai, Garnet Kin-Lic Chan

We discuss a coupled-cluster formalism for carrying out imaginary-time evolution from an arbitrary reference, and study the properties of the resulting evolution trajectories. The…

physics.chem-ph2025★ 1 cited

Quantum Many-Body Linear Algebra, Hamiltonian Moments, and a Coupled Cluster Inspired Framework

Yuhang Ai, Huanchen Zhai, Johannes Tölle +1

We propose a general strategy to develop quantum many-body approximations of primitives in linear algebra algorithms. As a practical example, we introduce a coupled-cluster inspire…

quant-ph2024★ 33 cited

Rapid initial state preparation for the quantum simulation of strongly correlated molecules

Dominic W. Berry, Yu Tong, Tanuj Khattar +8

Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap wi…

quant-ph2023

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…

physics.chem-ph2022★ 94 cited

The chromium dimer: closing a chapter of quantum chemistry

Henrik R. Larsson, Huanchen Zhai, C. J. Umrigar +1

The complex electronic structure and unusual potential energy curve of the chromium dimer have fascinated scientists for decades, with agreement between theory and experiment so fa…

cond-mat.str-el2021★ 24 cited

Holographic simulation of correlated electrons on a trapped ion quantum processor

Daoheng Niu, Reza Haghshenas, Yuxuan Zhang +3

We develop holographic quantum simulation techniques to prepare correlated electronic ground states in quantum matrix product state (qMPS) form, using far fewer qubits than the num…