591 citations · 7k across the 113 of their papers we have counts for
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Constrained-Path Auxiliary-Field Quantum Monte Carlo for Coupled Electrons and Phonons
Joonho Lee, Shiwei Zhang, David R. Reichman
We present an extension of constrained-path auxiliary-field quantum Monte Carlo (CP-AFQMC) for the treatment of correlated electronic systems coupled to phonons. The algorithm foll…
Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations
Siyuan Chen, Mario Motta, Fengjie Ma +1
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-f…
A Pseudo-BCS Wavefunction from Density Matrix Decomposition:Application in Auxiliary-Field Quantum Monte Carlo
Zhiyu Xiao, Hao Shi, Shiwei Zhang
We present a method to construct pseudo-BCS wave functions from the one-body density matrix. The resulting many-body wave function, which can be produced for any fermion systems, i…
Some Recent Developments in Auxiliary-Field Quantum Monte Carlo for Real Materials
Hao Shi, Shiwei Zhang
The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, at…
Magnetic and charge orders in the ground state of the Emery model -- accurate numerical results
Adam Chiciak, Ettore Vitali, Shiwei Zhang
We perform extensive auxiliary-field quantum Monte Carlo (AFQMC) calculations for the three-band Hubbard (Emery) model in order to study the ground-state properties of Copper-Oxyge…
Tuning the quantumness of simple Bose systems: A universal phase diagram
Youssef Kora, Massimo Boninsegni, Dam Thanh Son +1
We present a comprehensive theoretical study of the phase diagram of a system of many Bose particles interacting with a two-body central potential of the so-called Lennard-Jones fo…