290 citations · 735 across the 13 of their papers we have counts for
4 papers · 1 filter
Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory
Luning Zhao, Eric Neuscamman
We present an approach to studying optical band gaps in real solids in which quantum Monte Carlo methods allow for the application of a rigorous variational principle to both groun…
A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo
Luning Zhao, Eric Neuscamman
We present a modification to variational Monte Carlo's linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the t…
Equation of motion theory for excited states in variational Monte Carlo and the Jastrow antisymmetric geminal power in Hilbert space
Luning Zhao, Eric Neuscamman
An equation of motion formalism for excited states in variational Monte Carlo is derived and a pilot implementation for the Jastrow-modified antisymmetric geminal power is tested.…
An efficient variational principle for the direct optimization of excited states
Luning Zhao, Eric Neuscamman
We present a variational function that targets excited states directly based on their position in the energy spectrum, along with a Monte Carlo method for its evaluation and minimi…