126 citations · 578 across the 9 of their papers we have counts for
9 papers
Spatially inhomogeneous phase in the two-dimensional repulsive Hubbard model
Chia-Chen Chang, Shiwei Zhang
Using recent advances in auxiliary-field quantum Monte Carlo techniques and the phaseless approximation to control the sign/phase problem, we determine the equation of state in the…
Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F2
Wirawan Purwanto, W. A. Al-Saidi, Henry Krakauer +1
The use of an approximate reference state wave function |Phi_r> in electronic many-body methods can break the spin symmetry of Born-Oppenheimer spin-independent Hamiltonians. This…
The Hartree-Fock ground state of the three-dimensional electron gas
Shiwei Zhang, D. M. Ceperley
In 1962, Overhauser showed that within Hartree-Fock (HF) the electron gas is unstable to a spin density wave (SDW) instability. Determining the true HF ground state has remained a…
Finite-size correction in many-body electronic structure calculations
Hendra Kwee, Shiwei Zhang, Henry Krakauer
Finite-size (FS) effects are a major source of error in many-body (MB) electronic structure calculations of extended systems. A method is presented to correct for such errors. We s…
Bond breaking with auxiliary-field quantum Monte Carlo
W. A. Al-Saidi, Shiwei Zhang, Henry Krakauer
Bond stretching mimics different levels of electron correlation and provides a challenging testbed for approximate many-body computational methods. Using the recently developed pha…
A study of H+H and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with planewave and Gaussian basis sets
W. A. Al-Saidi, Henry Krakauer, Shiwei Zhang
We present phaseless auxiliary-field (AF) quantum Monte Carlo (QMC) calculations of the ground states of some hydrogen-bonded systems. These systems were selected to test and bench…