34 citations · 58 across the 6 of their papers we have counts for
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Unveiling the Finite Temperature Physics of Hydrogen Chains via Auxiliary Field Quantum Monte Carlo
Yuan Liu, Tong Shen, Hang Zhang +1
The ability to accurately predict the finite temperature properties of realistic quantum solids is central to uncovering new phases and engineering materials with novel properties.…
Evidence for orbital ordering in BaNaOsO, a Mott insulator with strong spin orbit coupling, from First Principles
R. Cong, Ravindra Nanguneri, Brenda Rubenstein +1
We present first principles calculations of the magnetic and orbital properties of BaNaOsO (BNOO), a 5 Mott insulator with strong spin orbit coupling (SOC) in its low…
Metal-Insulator and Magnetic Phase Diagram of CaRuO from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory
Hongxia Hao, Antoine Georges, Andrew J. Millis +3
Layered perovskite ruthenium oxides exhibit a striking series of metal-insulator and magnetic-nonmagnetic phase transitions easily tuned by temperature, pressure, epitaxy, and nonl…
First Principles calculations of the EFG tensors of BaNaOsO, a Mott insulator with strong spin orbit coupling
Rong Cong, Ravindra Nanguneri, Brenda M. Rubenstein +1
We present first principles calculations of the electrostatic properties of BaNaOsO (BNOO), a 5 Mott insulator with strong spin orbit coupling (SOC) in its low tempera…
Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics
Hongxia Hao, Brenda M. Rubenstein, Hao Shi
In the study of strongly-correlated, many-electron systems, the Hubbard Kanamori (HK) model has emerged as one of the prototypes for transition metal oxide physics. The model is mu…
Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo
Yuan Liu, Minsik Cho, Brenda Rubenstein
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature…