94 citations · 153 across the 7 of their papers we have counts for
4 papers · 1 filter
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…
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…
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…
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…