27 citations · 59 across the 5 of their papers we have counts for
5 papers
AutoHF: a general Hartree-Fock solver utilizing direct energy minimization with automatic differentiation
Ryan Levy, Brandon Eskridge, Lukas Weber +2
We present autohf, a general, easy-to-use mean-field solver for quantum many-fermion Hamiltonians. It allows the user to bypass the process of deciphering the mean-field form for e…
Downfolding from Ab Initio to Interacting Model Hamiltonians: Comprehensive Analysis and Benchmarking of the DFT+cRPA Approach
Yueqing Chang, Erik G. C. P. van Loon, Brandon Eskridge +8
Model Hamiltonians are regularly derived from first-principles data to describe correlated matter. However, the standard methods for this contain a number of largely unexplored app…
Non-perturbative Many-Body Treatment of Molecular Magnets
Brandon Eskridge, Henry Krakauer, Shiwei Zhang
Molecular magnets have received significant attention because of their potential applications in quantum information and quantum computing. A delicate balance of electron correlati…
Ab initio Calculations in Atoms, Molecules, and Solids, Treating Spin-Orbit Coupling and Electron Interaction on Equal Footing
Brandon Eskridge, Henry Krakauer, Hao Shi +1
We incorporate explicit, non-perturbative treatment of spin-orbit coupling into ab initio auxiliary-field quantum Monte Carlo (AFQMC) calculations. The approach allows a general co…
Local embedding and effective downfolding in the auxiliary-field quantum Monte Carlo method
Brandon Eskridge, Henry Krakauer, Shiwei Zhang
A local embedding and effective downfolding scheme has been developed and implemented in the auxiliary-field quantum Monte Carlo (AFQMC) method. A local cluster in which electrons…